data_2lzf_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 2lzf _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 tmm? . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 121.09 0.472 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -70.37 152.32 44.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.788 1.235 . . . . 0.0 113.355 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -119.14 11.89 12.51 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.484 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.284 66.2 m 46.15 -89.29 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.831 2.452 . . . . 0.0 115.407 -177.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.23 93.47 3.08 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 122.111 2.232 . . . . 0.0 113.331 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.09 -32.23 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 126.447 1.899 . . . . 0.0 111.042 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.32 70.95 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.652 1.12 . . . . 0.0 115.265 -171.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -123.52 -68.11 0.89 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.171 1.486 . . . . 0.0 109.709 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.59 31.88 18.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.151 1.381 . . . . 0.0 114.357 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -56.79 164.39 1.54 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 126.152 1.781 . . . . 0.0 111.545 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -35.59 -43.95 0.29 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.78 -33.46 60.17 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.129 -1.607 . . . . 0.0 113.716 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.57 6.29 44.3 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.877 2.471 . . . . 0.0 113.119 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.06 -10.74 60.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.143 1.377 . . . . 0.0 113.881 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -45.16 -27.15 0.57 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.9 tptp -51.66 -67.74 0.23 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.021 1.328 . . . . 0.0 113.428 164.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.4 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -67.05 -39.3 86.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.656 2.382 . . . . 0.0 109.592 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -48.25 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 130.147 3.379 . . . . 0.0 111.671 168.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -75.83 -41.06 53.68 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.55 -174.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -58.89 -37.58 76.91 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.741 1.617 . . . . 0.0 113.923 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 pt -79.27 -27.63 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.533 1.06 . . . . 0.0 112.976 171.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.55 -31.85 63.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.895 0.878 . . . . 0.0 112.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 N--CA 1.477 0.924 0 C-N-CA 124.64 1.176 . . . . 0.0 113.592 175.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.8 t80 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.21 33.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.249 1.023 . . . . 0.0 112.345 172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.6 -37.58 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.8 1.64 . . . . 0.0 112.547 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.73 -45.19 90.18 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.383 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.76 -44.16 93.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 116.939 -1.505 . . . . 0.0 111.306 170.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.9 -53.33 54.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.927 1.694 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -67.77 -37.14 81.7 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 119.471 1.032 . . . . 0.0 112.144 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -41.97 98.77 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 0.0 111.326 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -69.9 -53.85 16.1 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 127.227 2.211 . . . . 0.0 110.247 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -57.0 -41.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.453 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.11 -25.54 61.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 118.584 -1.246 . . . . 0.0 113.426 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -26.47 67.29 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.557 1.071 . . . . 0.0 112.004 171.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.56 -51.52 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.523 -1.361 . . . . 0.0 110.384 167.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.8 -43.98 91.4 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.804 1.241 . . . . 0.0 113.629 -168.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -123.95 -29.03 3.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.932 1.293 . . . . 0.0 113.129 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -18.24 72.81 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 113.199 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.293 67.4 p 52.51 42.51 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.893 2.077 . . . . 0.0 114.134 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -55.64 142.4 34.04 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.726 0.81 . . . . 0.0 110.975 165.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -152.86 121.29 6.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.426 1.491 . . . . 0.0 109.976 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.445 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -162.23 165.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.868 . . . . 0.0 109.194 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -76.7 60.81 1.74 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.092 2.557 . . . . 0.0 114.35 -168.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.7 -8.88 67.19 Favored Glycine 0 N--CA 1.468 0.775 0 C-N-CA 127.598 2.523 . . . . 0.0 115.123 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 m -60.55 -58.48 8.32 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.212 2.006 . . . . 0.0 110.643 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.445 ' H ' HG13 ' A' ' 49' ' ' VAL . 6.2 t -66.53 -34.75 78.62 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -54.99 -54.38 43.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.266 1.026 . . . . 0.0 110.61 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -60.04 -43.06 95.59 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 125.429 1.492 . . . . 0.0 112.008 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.84 -45.43 86.25 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.244 1.384 . . . . 0.0 112.08 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.77 -42.94 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.223 -1.548 . . . . 0.0 112.351 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 p -78.76 -27.73 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.244 0.617 . . . . 0.0 112.025 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 t -71.44 -36.51 71.29 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.985 -1.072 . . . . 0.0 112.125 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -50.94 -55.88 15.07 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.326 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -40.0 94.35 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.781 0.719 . . . . 0.0 111.807 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.79 -18.54 32.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -33.54 6.14 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 165.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.82 -50.69 61.79 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.107 1.321 . . . . 0.0 113.895 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -70.35 -33.58 71.62 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.014 1.325 . . . . 0.0 112.514 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.89 -60.69 1.49 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -97.85 -43.04 7.28 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -160.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.403 2.281 . . . . 0.0 112.176 -174.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -66.28 149.82 49.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.144 0.978 . . . . 0.0 112.476 -174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.0 14.19 10.65 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.462 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.281 70.7 m 48.02 -86.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.969 2.508 . . . . 0.0 116.1 -176.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.86 106.3 6.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.179 2.718 . . . . 0.0 113.721 168.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -80.12 -38.46 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 111.733 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.69 -3.3 26.1 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.053 1.311 . . . . 0.0 115.709 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -140.73 -53.13 0.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.024 1.412 . . . . 0.0 110.564 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.12 44.39 19.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.215 1.806 . . . . 0.0 114.808 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -96.62 102.44 14.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -160.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.322 4.2 t 52.88 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.095 2.958 . . . . 0.0 115.605 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.53 -23.7 63.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.714 1.206 . . . . 0.0 112.519 166.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.46 4.99 31.21 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.466 1.507 . . . . 0.0 112.384 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -68.95 -10.72 58.79 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -45.37 -27.93 0.77 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -173.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.462 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.7 tptp -53.04 -66.03 0.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.201 1.4 . . . . 0.0 113.048 166.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.14 -38.2 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.493 2.317 . . . . 0.0 109.519 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.13 -48.38 64.89 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 129.707 3.203 . . . . 0.0 111.571 167.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -72.88 -44.91 60.74 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.99 -34.08 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.598 1.959 . . . . 0.0 114.981 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -82.27 -28.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 119.088 0.858 . . . . 0.0 112.563 171.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -75.05 -31.1 61.2 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 pt -77.24 -177.41 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 0.0 113.405 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -61.28 -31.93 71.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -144.24 146.35 32.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.925 1.29 . . . . 0.0 112.1 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.27 141.33 58.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.08 0.952 . . . . 0.0 111.854 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -136.66 -29.68 0.93 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -161.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.89 37.01 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.502 1.501 . . . . 0.0 114.03 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.47 -28.64 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.4 -47.41 75.94 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.8 -55.84 29.96 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 110.959 170.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 -51.85 26.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.535 1.134 . . . . 0.0 112.361 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.3 t -70.79 -39.9 72.86 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 121.509 -0.745 . . . . 0.0 111.954 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -59.17 -41.69 89.04 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.045 0.926 . . . . 0.0 110.679 174.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.59 -52.96 15.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.918 2.087 . . . . 0.0 110.692 -173.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.65 -42.72 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 121.613 -0.679 . . . . 0.0 111.161 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.13 -26.24 61.15 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 119.355 -0.938 . . . . 0.0 113.45 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.67 -24.46 63.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.571 1.078 . . . . 0.0 111.167 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.35 -46.35 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.915 -1.116 . . . . 0.0 110.358 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -64.45 -52.13 59.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -118.47 -30.31 5.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 112.746 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.37 -15.95 70.86 Favored Glycine 0 CA--C 1.54 1.656 0 O-C-N 121.229 -0.92 . . . . 0.0 114.015 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.3 p 53.02 41.38 32.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.176 2.19 . . . . 0.0 115.363 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.93 145.53 35.38 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.597 -0.689 . . . . 0.0 110.584 160.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -144.68 126.68 15.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.278 1.031 . . . . 0.0 111.774 -176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -163.27 169.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 127.189 2.195 . . . . 0.0 109.278 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -60.64 -171.03 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.935 1.694 . . . . 0.0 112.239 165.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.89 -7.41 0.3 Allowed Glycine 0 N--CA 1.474 1.176 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -46.4 -67.41 0.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.526 1.663 . . . . 0.0 111.219 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -65.31 -41.58 93.89 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.182 0.901 . . . . 0.0 112.257 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -46.82 -53.2 12.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.211 1.004 . . . . 0.0 110.764 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -61.9 -41.67 98.18 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 125.079 1.352 . . . . 0.0 112.499 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.71 -46.87 88.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.868 1.667 . . . . 0.0 112.095 172.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.28 -37.15 77.71 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 119.432 -2.042 . . . . 0.0 111.915 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 p -81.17 -28.36 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.521 0.728 . . . . 0.0 112.454 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.14 -32.24 66.71 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.331 -1.481 . . . . 0.0 112.269 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -49.15 -56.09 10.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.495 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.53 83.4 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.225 174.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.86 -24.69 16.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 119.032 -0.509 . . . . 0.0 112.106 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -46.64 4.73 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 170.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.09 -47.62 83.81 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -74.57 -32.67 62.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.795 1.238 . . . . 0.0 112.421 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.51 -61.65 1.37 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.33 -45.15 15.3 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -168.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 31.8 m120 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.971 1.708 . . . . 0.0 113.198 -173.194 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -128.19 151.76 48.86 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.288 1.835 . . . . 0.0 111.14 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.3 mmt -122.26 11.55 10.11 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.503 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.27 66.5 m 45.98 -92.34 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.293 2.237 . . . . 0.0 115.516 -177.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.31 91.94 3.35 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 121.18 1.809 . . . . 0.0 110.817 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.79 -32.69 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.507 1.123 . . . . 0.0 111.158 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 4.44 57.23 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.003 1.287 . . . . 0.0 114.765 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -57.43 0.78 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.759 1.28 . . . . 0.0 110.168 162.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 49.08 36.63 9.09 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.08 1.752 . . . . 0.0 113.471 -178.44 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.29 170.82 2.12 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 126.265 1.826 . . . . 0.0 111.998 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -39.03 -42.72 0.92 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -76.53 -35.01 58.53 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.295 -1.503 . . . . 0.0 113.467 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -86.66 8.09 23.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.304 2.241 . . . . 0.0 113.717 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.41 -9.63 58.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.467 -1.395 . . . . 0.0 113.901 -172.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.82 -32.57 0.63 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.743 1.617 . . . . 0.0 114.051 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.9 tptp -49.99 -67.44 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.046 1.738 . . . . 0.0 113.006 166.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.13 -36.23 74.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.321 2.249 . . . . 0.0 109.763 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -51.28 64.6 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.821 1.248 . . . . 0.0 108.446 167.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.74 -44.59 73.46 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -166.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -58.75 -24.34 61.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 128.351 2.661 . . . . 0.0 116.32 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.0 pt -92.77 -27.03 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.713 1.597 . . . . 0.0 113.419 167.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -72.98 -31.04 64.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.012 1.325 . . . . 0.0 112.696 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 125.068 1.347 . . . . 0.0 113.623 176.225 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 CA--C 1.552 1.054 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.55 -43.13 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.539 3.136 . . . . 0.0 116.961 -153.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mm -78.98 -29.55 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 125.048 1.339 . . . . 0.0 114.315 -166.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.6 -36.99 77.35 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.125 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.65 -47.32 84.22 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.356 171.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.13 -55.47 10.22 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.827 1.194 . . . . 0.0 112.46 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -66.75 -37.49 84.75 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 119.338 0.972 . . . . 0.0 111.958 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -42.62 96.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 122.027 0.918 . . . . 0.0 111.254 174.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -70.45 -54.21 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 127.012 2.125 . . . . 0.0 110.561 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.16 -42.25 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.877 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -72.21 -28.34 63.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.353 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -67.8 -23.37 65.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.216 0.916 . . . . 0.0 111.445 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.44 -46.74 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 172.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.46 -46.76 81.73 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.916 1.287 . . . . 0.0 113.533 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -125.76 -28.66 3.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.797 1.239 . . . . 0.0 113.488 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.57 74.28 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 113.426 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.05 44.52 22.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.589 1.956 . . . . 0.0 113.899 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.0 143.38 43.42 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.266 -0.896 . . . . 0.0 110.424 161.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -145.84 124.77 12.73 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.339 1.056 . . . . 0.0 111.597 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 p -164.56 171.29 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.438 2.295 . . . . 0.0 108.943 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -60.35 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.607 1.563 . . . . 0.0 111.987 164.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.83 -6.31 0.21 Allowed Glycine 0 N--CA 1.473 1.144 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -47.64 -65.59 0.54 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.027 1.914 . . . . 0.0 111.623 169.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -66.22 -36.27 82.6 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.833 -1.167 . . . . 0.0 113.071 -174.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -52.57 -56.18 17.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.737 1.215 . . . . 0.0 110.314 170.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -62.14 -43.6 98.47 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 117.194 -1.384 . . . . 0.0 112.725 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -51.69 -55.58 18.72 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.701 1.591 . . . . 0.0 111.427 170.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pp -80.42 -21.69 41.95 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.83 -1.794 . . . . 0.0 114.734 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 p -83.91 -25.84 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.779 -0.576 . . . . 0.0 111.817 170.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 t -70.01 -34.2 73.0 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.718 172.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.81 -57.2 4.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -38.07 76.51 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 119.176 -0.44 . . . . 0.0 112.019 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.6 -23.71 18.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.528 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -117.46 -25.76 6.88 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 165.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.33 -48.14 71.24 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 121.679 2.036 . . . . 0.0 113.137 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -72.06 -35.05 69.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.152 1.381 . . . . 0.0 112.219 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.69 -63.07 1.24 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -102.96 -42.9 5.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -158.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.276 1.431 . . . . 0.0 113.255 -169.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -68.3 150.15 48.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.524 1.13 . . . . 0.0 112.921 -168.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.4 mmt -121.71 16.6 11.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.271 92.0 p 42.74 -92.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.348 2.659 . . . . 0.0 115.298 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -132.7 95.12 3.53 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 121.065 1.757 . . . . 0.0 110.735 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -77.18 -30.92 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.473 1.509 . . . . 0.0 111.493 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.96 54.86 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.89 1.71 . . . . 0.0 114.944 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 -62.21 1.04 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.187 1.494 . . . . 0.0 108.956 166.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 35.47 25.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.012 1.725 . . . . 0.0 113.812 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -57.14 162.98 2.31 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.793 1.637 . . . . 0.0 111.791 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -34.96 -43.18 0.18 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.39 -30.1 60.02 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.325 -1.484 . . . . 0.0 113.682 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.55 5.93 49.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.582 2.753 . . . . 0.0 113.098 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.53 -10.62 60.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.958 1.303 . . . . 0.0 114.332 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -42.88 -27.99 0.22 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 114.138 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -52.07 -68.29 0.18 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.628 1.571 . . . . 0.0 112.797 165.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.438 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.0 mm? -68.41 -38.03 80.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.695 2.398 . . . . 0.0 109.391 -173.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -49.82 71.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.477 1.911 . . . . 0.0 109.478 167.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.21 -41.78 73.2 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -167.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -59.19 -35.78 74.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.261 2.624 . . . . 0.0 115.126 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.9 pt -80.02 -26.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.253 1.388 . . . . 0.0 112.782 170.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -76.9 -31.71 56.91 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.276 1.03 . . . . 0.0 112.478 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -78.46 -169.31 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 125.327 1.451 . . . . 0.0 113.051 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -48.84 -45.07 40.14 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.214 2.206 . . . . 0.0 114.798 -172.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -158.32 160.39 36.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.012 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.56 144.95 19.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.202 1.001 . . . . 0.0 111.651 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -143.21 -33.82 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.877 1.271 . . . . 0.0 113.875 -166.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 -46.4 9.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.269 1.828 . . . . 0.0 112.871 168.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.34 -25.55 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 121.106 -0.996 . . . . 0.0 113.214 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.1 -41.42 88.05 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.73 -1.231 . . . . 0.0 110.065 166.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.52 -53.66 53.57 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.976 169.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -46.68 -53.91 10.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.377 1.071 . . . . 0.0 112.085 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -64.64 -43.58 93.21 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 119.216 0.917 . . . . 0.0 111.89 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -41.1 85.06 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 122.826 1.298 . . . . 0.0 111.074 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -77.14 -50.36 13.18 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.732 2.013 . . . . 0.0 111.439 -171.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.73 -41.72 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.316 -0.865 . . . . 0.0 111.011 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.7 -26.83 62.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.839 -1.144 . . . . 0.0 113.408 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -64.28 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.526 1.057 . . . . 0.0 110.666 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.44 -46.2 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 120.569 -1.332 . . . . 0.0 110.647 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.8 -44.89 80.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.719 1.208 . . . . 0.0 113.625 -172.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -124.02 -31.38 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.457 1.103 . . . . 0.0 113.378 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.58 -17.76 67.16 Favored Glycine 0 CA--C 1.54 1.623 0 O-C-N 121.015 -1.053 . . . . 0.0 113.304 172.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m 57.13 46.98 18.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.034 2.134 . . . . 0.0 113.696 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -62.25 148.05 46.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.999 0.92 . . . . 0.0 110.672 163.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.66 125.89 20.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.834 1.253 . . . . 0.0 111.077 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -164.11 168.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.159 2.184 . . . . 0.0 109.518 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -61.61 -169.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.108 1.763 . . . . 0.0 112.284 165.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.36 0.24 Allowed Glycine 0 N--CA 1.473 1.133 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -47.7 -63.35 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.854 1.827 . . . . 0.0 111.009 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -66.2 -40.9 90.72 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.888 1.222 . . . . 0.0 112.539 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -47.86 -54.39 12.69 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.064 0.946 . . . . 0.0 110.625 171.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -61.5 -45.3 94.8 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 116.694 -1.622 . . . . 0.0 112.85 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.74 -57.12 9.11 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 121.099 1.772 . . . . 0.0 111.268 169.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.52 -30.11 65.55 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.81 -1.806 . . . . 0.0 112.674 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -83.42 -27.33 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.705 -0.622 . . . . 0.0 112.548 175.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 t -71.55 -32.1 67.74 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.439 -1.413 . . . . 0.0 112.183 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.66 -59.19 2.9 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.92 0.888 . . . . 0.0 110.159 172.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -35.87 73.04 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 119.447 -0.311 . . . . 0.0 111.602 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.72 -19.62 28.66 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.761 -0.637 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -32.9 5.6 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 164.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -65.54 -52.77 50.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 113.632 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -69.14 -33.38 73.35 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.066 -1.021 . . . . 0.0 112.405 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -91.09 -59.88 2.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.514 1.926 . . . . 0.0 115.759 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -102.35 -45.65 5.03 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -160.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.927 2.091 . . . . 0.0 112.482 -175.17 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -96.79 146.2 25.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -168.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -127.14 63.83 1.32 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.209 1.003 . . . . 0.0 109.069 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.0 m -47.54 115.82 1.25 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.042 0.937 . . . . 0.0 113.469 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.49 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.275 3.8 mt 51.7 70.21 0.57 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.259 3.024 . . . . 0.0 114.169 175.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -66.29 -30.54 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.818 1.247 . . . . 0.0 111.171 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.49 2.29 57.67 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 125.959 1.742 . . . . 0.0 115.145 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -134.53 -56.17 0.84 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.984 1.392 . . . . 0.0 110.206 164.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.92 44.15 23.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 113.718 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 97.33 9.17 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 113.531 -163.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.304 4.5 t 52.15 -68.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.821 2.849 . . . . 0.0 115.811 171.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -65.93 -26.57 67.66 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 120.506 -1.372 . . . . 0.0 112.391 164.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -99.98 5.97 45.15 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.703 1.601 . . . . 0.0 111.952 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.94 -8.98 53.31 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -43.48 -28.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -64.29 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.284 1.434 . . . . 0.0 112.258 168.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' H ' HD22 ' A' ' 20' ' ' LEU . 1.8 mm? -70.09 -36.77 75.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 127.708 2.403 . . . . 0.0 109.763 -174.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -52.38 65.74 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 125.158 1.383 . . . . 0.0 109.032 168.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.2 tp -69.26 -42.34 75.7 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -163.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -52.21 -44.85 64.97 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.384 2.274 . . . . 0.0 115.351 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.59 -25.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 121.076 1.762 . . . . 0.0 112.435 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -77.79 -30.77 51.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.391 1.077 . . . . 0.0 112.82 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.7 pt . . . . . 0 CA--C 1.548 0.901 0 C-N-CA 125.121 1.368 . . . . 0.0 113.203 175.04 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.7 t80 . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.17 57.31 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.8 1.182 . . . . 0.0 112.505 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mm -66.96 -33.53 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -58.89 -40.88 85.76 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.4 -41.05 96.86 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 115.969 -1.967 . . . . 0.0 110.549 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.5 tp -53.43 -56.04 20.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.938 2.154 . . . . 0.0 111.844 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.2 t -66.26 -38.17 87.2 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 119.148 0.885 . . . . 0.0 111.74 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -61.69 -43.46 98.81 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.927 0.87 . . . . 0.0 111.046 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.19 -55.07 13.62 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.135 2.174 . . . . 0.0 110.518 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.69 -41.47 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.342 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -70.88 -26.97 63.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 118.423 -1.311 . . . . 0.0 113.348 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.56 -26.22 67.02 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.402 1.001 . . . . 0.0 112.053 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mp -80.97 -51.65 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.395 -1.441 . . . . 0.0 110.533 167.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.242 1.017 . . . . 0.0 113.637 -167.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 t -123.19 -29.25 3.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.525 1.13 . . . . 0.0 113.46 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 -17.56 75.73 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 119.65 1.114 . . . . 0.0 113.427 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.3 81.6 p 53.12 41.01 32.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.023 2.129 . . . . 0.0 114.642 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.54 142.15 45.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.885 0.874 . . . . 0.0 110.915 165.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -152.58 128.98 10.61 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 110.582 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 53' ' ' THR . 2.1 p -161.84 166.29 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.497 1.919 . . . . 0.0 109.156 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -64.01 59.93 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 131.007 3.723 . . . . 0.0 116.211 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.3 -6.42 15.49 Favored Glycine 0 N--CA 1.469 0.894 0 C-N-CA 126.717 2.104 . . . . 0.0 115.359 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.0 m -61.12 -58.34 8.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.576 2.188 . . . . 0.0 110.582 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.457 ' H ' HG12 ' A' ' 49' ' ' VAL . 7.1 t -61.5 -37.53 84.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.821 0.848 . . . . 0.0 113.227 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -56.28 -57.1 13.7 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.713 1.205 . . . . 0.0 110.796 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -59.99 -44.56 94.43 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.285 1.434 . . . . 0.0 112.113 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HE2' ' O ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -50.27 -52.83 33.0 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.215 1.37 . . . . 0.0 111.635 169.615 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.61 -25.11 41.54 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.953 -1.717 . . . . 0.0 114.81 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 p -81.21 -26.49 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.635 -0.665 . . . . 0.0 111.722 172.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 t -71.86 -30.98 66.0 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.461 -1.399 . . . . 0.0 112.381 172.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.41 -56.84 7.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.916 172.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -37.68 84.77 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.92 0.327 . . . . 0.0 111.615 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.82 -24.7 24.13 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.747 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 -39.95 5.45 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 171.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.33 -51.29 61.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.969 0.908 . . . . 0.0 113.082 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -70.34 -36.48 74.24 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 112.319 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -90.22 -61.67 1.63 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -100.73 -35.83 9.32 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -159.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.425 1.89 . . . . 0.0 112.756 -179.255 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 110.51 -0.182 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.46 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 46.9 ttp180 -137.92 143.73 40.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.768 1.627 . . . . 0.0 110.281 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 79.5 mmm -124.3 70.43 1.1 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.777 0.799 . . . . 0.0 110.606 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 67.7 m -76.93 102.85 6.56 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.649 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -133.99 142.75 47.78 Favored 'General case' 0 CA--C 1.535 0.397 1 C-N-CA 136.667 5.987 . . . . 0.0 107.119 -1.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -92.41 -43.05 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.39 1.28 27.92 Favored Glycine 0 CA--C 1.546 2.028 0 C-N-CA 125.138 1.351 . . . . 0.0 115.267 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -139.74 -60.75 0.54 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.85 1.325 . . . . 0.0 110.668 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.45 36.17 22.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.092 1.357 . . . . 0.0 113.715 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -55.66 162.82 1.54 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.701 1.6 . . . . 0.0 111.667 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -35.23 -42.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.82 -29.09 50.45 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.121 -1.612 . . . . 0.0 114.038 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 7.51 45.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.009 2.923 . . . . 0.0 112.869 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.31 -8.92 56.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.566 1.147 . . . . 0.0 113.9 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -45.56 -27.75 0.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.748 1.219 . . . . 0.0 113.998 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.2 tptt -47.53 -73.28 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.718 2.007 . . . . 0.0 113.365 162.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.48 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.1 mm? -67.45 -35.21 78.76 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.901 2.48 . . . . 0.0 109.987 -173.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.78 -50.62 63.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.368 3.067 . . . . 0.0 111.537 167.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -72.61 -39.66 67.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 116.453 -2.099 . . . . 0.0 107.726 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -64.14 -26.03 68.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.136 1.774 . . . . 0.0 115.287 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -86.24 -29.89 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.825 1.193 . . . . 0.0 112.314 166.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.49 -27.68 63.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.923 0.889 . . . . 0.0 113.044 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.41 -141.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.897 1.679 . . . . 0.0 112.121 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -62.69 11.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 128.345 2.658 . . . . 0.0 115.481 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 68.07 149.43 0.06 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.479 3.112 . . . . 0.0 116.455 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 56.48 20.95 5.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.176 2.19 . . . . 0.0 116.77 168.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -57.98 -31.7 67.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -169.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.8 -36.95 7.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.79 0.836 . . . . 0.0 113.08 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.65 -29.35 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.58 -44.22 93.39 Favored 'General case' 0 C--O 1.242 0.708 0 O-C-N 121.383 -0.823 . . . . 0.0 110.202 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -49.1 78.66 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.211 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.8 tp -48.44 -55.11 11.77 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.73 1.604 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.8 t -68.19 -41.95 80.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.456 0.571 . . . . 0.0 111.61 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -62.64 -38.93 92.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.03 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.77 -54.79 9.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.304 2.242 . . . . 0.0 110.966 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.91 -43.4 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.019 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.6 -28.7 62.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 118.615 -1.234 . . . . 0.0 113.498 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.97 -23.02 64.07 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.587 1.085 . . . . 0.0 111.606 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.22 -46.97 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.693 -1.254 . . . . 0.0 110.199 173.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.26 -48.58 72.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.479 1.112 . . . . 0.0 113.494 -173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -119.39 -31.26 4.68 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.505 1.122 . . . . 0.0 113.096 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.22 -15.28 72.21 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 121.237 -0.914 . . . . 0.0 114.225 171.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.316 82.1 p 54.5 37.65 28.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.218 2.207 . . . . 0.0 115.826 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.28 149.39 38.06 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.253 -0.904 . . . . 0.0 110.998 160.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -153.1 138.52 17.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.259 1.023 . . . . 0.0 112.074 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.493 HG11 ' H ' ' B' ' 53' ' ' THR . 2.6 p -161.26 160.96 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.759 2.023 . . . . 0.0 109.636 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.46 70.17 2.3 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.536 2.335 . . . . 0.0 114.455 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.38 -10.94 19.69 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 127.962 2.696 . . . . 0.0 115.55 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -58.6 -60.43 3.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.667 1.734 . . . . 0.0 109.52 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.493 ' H ' HG11 ' B' ' 49' ' ' VAL . 12.2 t -60.99 -44.58 97.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.584 -0.697 . . . . 0.0 112.578 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -47.17 -54.01 11.69 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.328 1.051 . . . . 0.0 111.198 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -60.78 -40.56 93.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 125.494 1.518 . . . . 0.0 112.671 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -55.73 -51.07 68.62 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.857 1.662 . . . . 0.0 111.965 167.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -66.58 -34.69 78.45 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.26 -2.15 . . . . 0.0 112.208 -175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 8.3 p -86.39 -26.53 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -71.18 -30.73 66.78 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 120.315 -1.491 . . . . 0.0 112.361 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -45.88 -57.27 4.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 0.0 110.55 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -36.27 77.77 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 117.945 0.339 . . . . 0.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.63 -19.55 16.78 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.877 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -116.82 -29.9 5.91 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 163.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.74 -46.74 74.46 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.548 1.522 . . . . 0.0 113.657 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -74.52 -35.71 63.16 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.695 1.198 . . . . 0.0 112.598 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -92.52 -58.7 2.28 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -103.76 -35.78 8.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -158.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.587 1.955 . . . . 0.0 112.282 -176.328 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -125.07 151.35 45.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.669 1.988 . . . . 0.0 111.157 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.0 11.52 10.29 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.522 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.253 68.5 m 47.79 -88.5 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.204 2.602 . . . . 0.0 116.109 -178.009 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.33 92.12 3.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.878 1.672 . . . . 0.0 110.279 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -76.62 -39.23 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.451 0.7 . . . . 0.0 111.255 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.73 1.54 49.5 Favored Glycine 0 CA--C 1.546 1.995 0 C-N-CA 124.921 1.248 . . . . 0.0 114.797 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -138.06 -51.51 0.6 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.147 1.474 . . . . 0.0 112.061 168.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.68 37.16 12.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.731 2.013 . . . . 0.0 115.572 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.43 105.41 17.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.577 0.751 . . . . 0.0 112.531 -160.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 4.6 t 51.66 -71.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.717 2.807 . . . . 0.0 115.148 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.37 -31.57 72.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.568 1.147 . . . . 0.0 112.561 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -100.31 6.72 44.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.161 0.984 . . . . 0.0 112.019 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -69.8 -8.5 48.76 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -42.87 -30.99 0.44 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.775 1.625 . . . . 0.0 115.204 -176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.3 tptp -53.56 -64.07 0.94 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.673 1.589 . . . . 0.0 112.535 168.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.3 mm? -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 127.857 2.463 . . . . 0.0 109.629 -173.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -53.53 55.82 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 108.298 167.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.22 -45.8 72.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -162.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -52.28 -42.05 63.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.798 2.439 . . . . 0.0 114.839 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 pt -79.59 -26.32 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.782 1.174 . . . . 0.0 112.864 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.1 -30.22 55.25 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.409 1.084 . . . . 0.0 112.727 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 124.892 1.277 . . . . 0.0 113.051 173.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 t80 . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -35.62 -43.14 0.26 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.607 2.363 . . . . 0.0 116.73 -171.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.8 -34.37 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.95 -43.31 86.31 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.875 -1.141 . . . . 0.0 110.188 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.96 -45.57 94.19 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.035 173.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.86 -55.47 14.16 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.327 1.421 . . . . 0.0 111.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -66.17 -38.2 87.48 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 119.805 1.184 . . . . 0.0 112.358 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.81 92.15 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.717 1.246 . . . . 0.0 111.422 174.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -74.02 -52.25 13.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.928 2.091 . . . . 0.0 110.811 -172.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 pp -56.74 -41.95 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.025 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.39 -27.27 62.26 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.517 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -66.37 -25.13 66.65 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.52 1.055 . . . . 0.0 111.121 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.04 -47.44 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 120.977 -1.077 . . . . 0.0 110.948 171.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.16 -43.93 93.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.567 1.147 . . . . 0.0 113.565 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 -31.74 2.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.68 1.192 . . . . 0.0 113.489 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -18.47 65.88 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 120.885 -1.135 . . . . 0.0 113.516 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.53 43.32 22.91 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.749 2.019 . . . . 0.0 113.886 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.59 140.91 55.95 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.29 -0.881 . . . . 0.0 109.87 158.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -145.43 125.07 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.089 0.955 . . . . 0.0 112.046 -173.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -165.26 171.51 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.452 2.301 . . . . 0.0 109.141 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -60.22 -170.03 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.055 1.742 . . . . 0.0 112.107 164.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -6.84 0.37 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 117.902 1.921 . . . . 0.0 117.902 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.2 m -46.89 -65.57 0.54 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 119.623 1.712 . . . . 0.0 111.264 169.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -66.88 -38.94 87.25 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -49.54 -53.54 22.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.211 1.004 . . . . 0.0 110.713 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -61.76 -41.22 97.41 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.017 1.327 . . . . 0.0 112.429 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -57.25 -47.8 80.46 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.479 1.49 . . . . 0.0 112.589 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.27 -35.63 66.21 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 119.805 -1.81 . . . . 0.0 112.758 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.0 p -80.48 -27.02 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.794 -0.566 . . . . 0.0 111.922 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 t -70.54 -35.0 72.88 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.659 -1.275 . . . . 0.0 112.057 171.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.87 -54.8 7.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.423 173.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.62 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 175.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -57.73 -19.13 25.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.985 0.914 . . . . 0.0 113.096 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -111.96 -34.05 6.1 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 157.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -49.33 67.96 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.6 2.0 . . . . 0.0 113.559 -173.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -71.75 -29.87 64.97 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.623 1.169 . . . . 0.0 112.514 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -101.53 -58.31 1.91 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.468 2.307 . . . . 0.0 116.585 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -104.78 -43.31 5.14 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -157.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 113.262 -174.879 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 CA--C 1.541 0.628 0 CA-C-O 120.469 0.176 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -129.68 153.36 48.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.327 1.451 . . . . 0.0 111.269 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mmt -120.3 11.41 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.455 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.253 69.9 m 46.16 -93.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.347 2.259 . . . . 0.0 115.227 -176.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.67 95.45 4.35 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.497 1.953 . . . . 0.0 109.89 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -77.54 -41.16 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.0 110.745 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.53 -0.73 39.76 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 125.704 1.621 . . . . 0.0 114.077 -170.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -132.22 -67.93 0.64 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.158 1.383 . . . . 0.0 109.249 170.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 34.09 22.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.319 1.448 . . . . 0.0 114.329 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.98 164.36 1.23 Allowed 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.76 1.624 . . . . 0.0 111.83 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -36.5 -42.67 0.36 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.23 -32.57 58.98 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.179 -1.575 . . . . 0.0 113.733 175.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -92.47 8.39 38.93 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.223 2.609 . . . . 0.0 112.974 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.79 -8.87 57.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.295 1.438 . . . . 0.0 114.1 -173.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.97 -28.14 0.63 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.819 1.247 . . . . 0.0 114.258 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.7 tptp -49.95 -69.71 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.125 1.77 . . . . 0.0 113.766 163.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.438 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.0 mm? -68.34 -36.93 79.98 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 127.557 2.343 . . . . 0.0 109.783 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.74 -50.05 35.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 129.316 3.046 . . . . 0.0 111.148 165.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.32 -41.86 60.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 117.619 -1.632 . . . . 0.0 108.817 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.0 -25.97 68.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 126.303 1.841 . . . . 0.0 114.867 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -88.75 -27.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.838 0.745 . . . . 0.0 112.925 168.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.59 -30.77 67.54 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.054 0.942 . . . . 0.0 112.732 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.2 pt -82.02 -175.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.076 1.35 . . . . 0.0 113.625 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -63.39 -32.03 73.36 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -142.84 149.49 38.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.726 1.21 . . . . 0.0 112.64 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.73 78.69 1.11 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.56 1.944 . . . . 0.0 112.539 -172.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.63 -43.67 84.04 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 -158.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -32.2 -47.44 0.15 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.451 2.301 . . . . 0.0 115.731 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.97 -27.67 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 120.296 1.407 . . . . 0.0 113.945 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.67 -38.9 79.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.813 -1.179 . . . . 0.0 110.307 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.92 -57.88 11.11 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.581 168.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.34 -52.36 9.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.499 1.52 . . . . 0.0 112.109 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -47.96 66.81 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 119.409 1.004 . . . . 0.0 111.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.58 67.93 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 122.55 1.167 . . . . 0.0 110.399 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -76.04 -51.09 13.04 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 127.658 2.383 . . . . 0.0 112.377 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 pp -56.71 -38.91 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.926 0.785 . . . . 0.0 110.715 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.0 -30.41 63.76 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.71 -27.47 69.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.408 1.458 . . . . 0.0 111.203 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.84 -48.07 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.946 -1.096 . . . . 0.0 110.852 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.13 -45.57 69.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.398 1.079 . . . . 0.0 113.795 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -119.07 -32.06 4.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.96 1.304 . . . . 0.0 112.766 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.6 -13.57 74.63 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.083 -1.01 . . . . 0.0 114.058 171.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.314 81.7 p 54.94 37.37 28.67 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.138 2.175 . . . . 0.0 115.293 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.29 142.14 58.36 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.602 -0.686 . . . . 0.0 110.274 159.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -160.99 137.55 8.58 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.496 1.118 . . . . 0.0 111.771 172.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.34 -158.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 126.66 1.984 . . . . 0.0 109.329 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -55.97 -174.88 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.71 1.604 . . . . 0.0 113.635 160.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.26 -7.67 2.05 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 119.948 -1.72 . . . . 0.0 116.391 175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -49.2 -58.28 5.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.174 1.987 . . . . 0.0 110.985 171.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -66.66 -42.46 86.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.95 1.25 . . . . 0.0 112.532 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -48.25 -53.43 17.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.387 1.075 . . . . 0.0 111.238 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -59.7 -42.68 93.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.784 1.634 . . . . 0.0 112.932 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -52.66 -52.97 53.4 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 121.066 1.757 . . . . 0.0 111.503 169.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.74 -36.08 77.94 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.184 -1.573 . . . . 0.0 112.635 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -84.85 -27.45 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 112.445 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 t -70.06 -34.09 72.76 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 120.737 -1.227 . . . . 0.0 111.76 174.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.77 -59.13 2.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.465 0.706 . . . . 0.0 111.022 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -36.46 74.07 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.338 -0.363 . . . . 0.0 111.723 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.98 -19.37 17.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.205 0.602 . . . . 0.0 112.508 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -34.44 5.62 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 164.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.12 -49.75 70.98 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.072 1.305 . . . . 0.0 113.703 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -72.78 -35.29 67.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.592 1.157 . . . . 0.0 112.596 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.51 -58.26 2.59 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -102.25 -44.48 5.4 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -161.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.087 2.155 . . . . 0.0 112.428 -175.751 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -128.82 155.21 45.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.245 1.818 . . . . 0.0 111.498 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.2 mmm -120.77 7.01 10.44 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.264 74.8 m 48.14 -86.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.54 2.336 . . . . 0.0 115.172 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.56 97.87 4.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 121.363 1.892 . . . . 0.0 110.471 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.49 -38.03 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.828 0.851 . . . . 0.0 110.776 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 7.51 54.37 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.596 1.093 . . . . 0.0 114.013 -170.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.7 -64.26 0.46 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.356 1.462 . . . . 0.0 110.906 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.7 33.47 13.98 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.501 1.52 . . . . 0.0 114.385 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -63.19 167.83 4.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 125.479 1.512 . . . . 0.0 111.305 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -33.52 -45.36 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -77.14 -30.41 55.09 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.144 -1.597 . . . . 0.0 113.88 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.72 7.2 46.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.183 2.593 . . . . 0.0 113.154 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.69 -12.59 61.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.881 1.672 . . . . 0.0 113.95 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.44 -28.89 0.61 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.8 tptp -49.48 -70.16 0.1 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.835 1.654 . . . . 0.0 113.607 164.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -67.92 -36.57 80.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.321 2.248 . . . . 0.0 109.794 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -47.98 60.36 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.974 2.91 . . . . 0.0 111.243 166.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -73.84 -42.0 61.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.716 -1.593 . . . . 0.0 108.813 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.14 -15.68 57.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.787 2.035 . . . . 0.0 115.568 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.6 pt -100.27 -26.88 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.222 1.009 . . . . 0.0 113.427 165.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -30.24 66.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.856 1.262 . . . . 0.0 112.794 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.0 pt . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.778 1.231 . . . . 0.0 113.573 175.447 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.62 -43.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 129.718 3.207 . . . . 0.0 117.15 -155.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.12 -30.5 36.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 124.765 1.226 . . . . 0.0 113.713 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.23 -41.61 68.91 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.826 -0.546 . . . . 0.0 110.364 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.41 -48.82 73.93 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.187 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -53.39 32.18 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.736 1.153 . . . . 0.0 111.818 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -68.4 -38.92 81.73 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.516 -0.74 . . . . 0.0 112.43 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -41.96 97.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.729 0.776 . . . . 0.0 110.688 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.16 -54.01 21.02 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.967 2.107 . . . . 0.0 110.698 -175.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.32 -42.68 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.921 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.59 -27.41 62.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 119.065 -1.054 . . . . 0.0 113.607 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.05 -24.34 64.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.757 1.162 . . . . 0.0 111.234 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.82 -46.99 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.002 -1.061 . . . . 0.0 110.305 171.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.54 -48.32 72.85 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -119.83 -32.62 4.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.942 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.88 -13.91 64.7 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 114.093 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.365 3.5 t 55.24 37.87 29.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.324 2.25 . . . . 0.0 115.024 175.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -60.36 144.85 49.81 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.994 -1.066 . . . . 0.0 110.577 161.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -148.32 135.63 20.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.517 1.127 . . . . 0.0 111.74 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.74 170.34 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.9 2.08 . . . . 0.0 109.534 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.79 -169.93 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.519 1.927 . . . . 0.0 113.248 161.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.53 -6.55 0.19 Allowed Glycine 0 N--CA 1.475 1.291 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.9 m -48.7 -66.56 0.38 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.776 1.788 . . . . 0.0 111.37 170.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -67.88 -33.3 74.47 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.137 -0.977 . . . . 0.0 113.08 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -53.44 -54.64 34.05 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.208 1.003 . . . . 0.0 109.988 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -63.85 -43.01 97.4 Favored 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.089 1.355 . . . . 0.0 112.967 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -55.08 -49.44 71.66 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.446 1.475 . . . . 0.0 111.429 171.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.61 -40.21 76.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 119.838 -1.789 . . . . 0.0 112.449 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.4 p -80.63 -25.2 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.255 0.622 . . . . 0.0 111.923 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -71.65 -34.73 70.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.775 -1.203 . . . . 0.0 112.157 172.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -48.1 -55.13 10.99 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.388 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -36.58 75.25 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -54.25 -23.79 16.21 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.98 -1.009 . . . . 0.0 112.504 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -117.49 -26.18 6.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -66.14 -47.29 74.57 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 121.858 2.117 . . . . 0.0 112.861 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.91 -36.22 64.72 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.066 1.346 . . . . 0.0 112.325 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -89.68 -59.67 2.14 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -103.27 -69.77 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -163.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.865 2.066 . . . . 0.0 113.282 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -133.5 147.38 51.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.579 1.152 . . . . 0.0 111.823 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.6 mmt -123.05 9.21 9.29 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.446 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 58.2 m 51.16 -90.87 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.425 2.29 . . . . 0.0 114.581 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt -130.0 96.13 4.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.435 1.925 . . . . 0.0 110.287 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.49 -35.18 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.234 1.014 . . . . 0.0 110.588 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -1.22 57.59 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.262 1.411 . . . . 0.0 113.644 -170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.7 -71.33 0.58 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.447 1.499 . . . . 0.0 109.065 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.21 33.25 23.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.299 1.44 . . . . 0.0 114.286 -177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -56.96 165.02 1.36 Allowed 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 126.193 1.797 . . . . 0.0 112.013 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -37.14 -42.66 0.45 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.95 -31.7 56.79 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.192 -1.567 . . . . 0.0 113.798 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -93.22 8.41 40.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.074 2.549 . . . . 0.0 113.18 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.31 -10.98 60.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.346 1.459 . . . . 0.0 113.658 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -43.86 -31.05 0.76 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.733 1.213 . . . . 0.0 113.574 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.4 tptp -47.79 -67.94 0.23 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.008 1.323 . . . . 0.0 113.512 165.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.33 -37.53 83.43 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.367 2.267 . . . . 0.0 109.773 -173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -47.58 69.4 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 129.478 3.111 . . . . 0.0 111.247 169.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -72.95 -45.8 56.05 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -59.01 -35.12 72.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.241 1.816 . . . . 0.0 114.655 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 pt -82.2 -28.97 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.872 0.76 . . . . 0.0 112.54 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -73.95 -30.94 62.81 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.7 pt -78.47 -172.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.513 1.125 . . . . 0.0 113.535 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -47.2 -44.22 22.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.58 2.352 . . . . 0.0 114.777 -171.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -155.43 160.19 40.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.613 1.565 . . . . 0.0 111.309 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.91 146.3 32.63 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 112.347 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -138.9 -35.05 0.58 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -167.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.88 -44.43 2.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.373 1.469 . . . . 0.0 112.957 164.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.37 -43.91 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 124.659 1.184 . . . . 0.0 112.11 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -57.39 -38.52 74.39 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.641 -0.662 . . . . 0.0 110.425 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.0 -45.58 92.96 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.487 172.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.7 tp -54.36 -55.79 25.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.163 1.347 . . . . 0.0 112.054 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.3 t -66.52 -37.87 85.96 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 119.316 0.962 . . . . 0.0 111.795 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -61.84 -43.91 97.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.799 0.809 . . . . 0.0 110.766 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.68 -53.61 31.94 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.366 1.866 . . . . 0.0 110.853 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.63 -40.19 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 121.774 -0.579 . . . . 0.0 111.708 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.63 -26.25 62.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.636 -1.226 . . . . 0.0 113.277 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.91 -25.79 66.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.646 1.112 . . . . 0.0 111.799 171.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.15 -50.04 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.557 -1.339 . . . . 0.0 110.331 169.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.35 -45.62 75.81 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -170.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -121.4 -27.86 4.74 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.605 1.162 . . . . 0.0 113.279 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.79 -20.58 76.06 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 119.406 1.003 . . . . 0.0 113.105 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m 59.39 40.08 21.37 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.238 1.815 . . . . 0.0 113.505 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -64.42 129.88 41.61 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 162.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -161.93 118.47 2.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.714 1.205 . . . . 0.0 110.036 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 18.0 m -137.53 -155.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.015 1.726 . . . . 0.0 109.455 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -55.0 -179.51 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.749 1.219 . . . . 0.0 113.01 159.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 -7.08 1.25 Allowed Glycine 0 N--CA 1.472 1.086 0 O-C-N 120.003 -1.686 . . . . 0.0 116.992 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -43.23 -67.09 0.3 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.311 2.055 . . . . 0.0 112.296 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -67.56 -36.03 80.16 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -53.05 -54.12 40.07 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.776 1.23 . . . . 0.0 110.706 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -61.99 -44.09 97.47 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.651 1.58 . . . . 0.0 112.444 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.04 -47.17 71.88 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.488 1.495 . . . . 0.0 111.729 171.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.86 -37.38 70.24 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.314 -1.491 . . . . 0.0 113.167 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -84.99 -25.64 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.189 0.596 . . . . 0.0 112.569 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -70.1 -34.23 72.87 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.506 -1.371 . . . . 0.0 111.486 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.78 -59.54 2.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.185 173.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.69 84.19 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.16 -19.2 31.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.213 0.605 . . . . 0.0 112.389 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.44 -33.52 5.56 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 163.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -64.93 -48.82 72.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.974 1.261 . . . . 0.0 113.688 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -72.5 -34.14 67.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.862 1.265 . . . . 0.0 112.503 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.31 -57.79 2.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -159.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 124.901 1.28 . . . . 0.0 113.186 -170.435 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.121 0.045 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.18 150.55 51.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.311 1.045 . . . . 0.0 113.579 -174.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -123.17 12.88 9.6 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m 47.4 -87.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.051 2.54 . . . . 0.0 115.385 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.34 114.28 12.8 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.289 2.313 . . . . 0.0 113.338 170.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.04 -35.25 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.575 1.55 . . . . 0.0 111.641 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.97 -1.35 35.65 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.102 1.334 . . . . 0.0 115.934 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -136.59 -51.27 0.69 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.181 1.491 . . . . 0.0 109.976 161.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.31 36.47 16.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 113.315 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.03 166.69 15.39 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.279 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -26.51 -50.22 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.54 -29.55 61.41 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.3 -1.5 . . . . 0.0 114.307 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -95.99 9.29 41.22 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.814 2.846 . . . . 0.0 113.208 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.03 -8.7 57.57 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 113.46 -171.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -42.11 -32.35 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.926 1.691 . . . . 0.0 113.577 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -50.35 -68.75 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.718 1.607 . . . . 0.0 112.774 166.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -69.52 -35.83 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.479 2.311 . . . . 0.0 109.787 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -53.34 56.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 125.08 1.352 . . . . 0.0 108.44 167.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.16 -42.37 80.13 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -162.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 129.435 3.094 . . . . 0.0 116.838 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 pt -83.0 -28.74 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 120.108 1.322 . . . . 0.0 112.478 168.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.19 -34.49 56.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.285 1.034 . . . . 0.0 112.2 -171.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 pt . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.713 1.605 . . . . 0.0 114.049 -179.106 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.2 t80 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.33 -40.22 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.502 1.521 . . . . 0.0 113.123 167.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.03 -34.59 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.56 -44.37 65.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 166.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.88 -48.35 79.39 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.966 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.49 -56.05 20.19 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.815 1.189 . . . . 0.0 110.498 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -66.51 -38.6 87.57 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 118.841 0.746 . . . . 0.0 111.526 -173.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -42.74 99.67 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.371 0.605 . . . . 0.0 110.745 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.0 -53.44 31.41 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.212 1.805 . . . . 0.0 111.018 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -58.59 -42.61 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 121.766 -0.584 . . . . 0.0 111.259 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.68 -25.26 61.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 118.86 -1.136 . . . . 0.0 113.663 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -65.0 -32.64 74.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.391 0.996 . . . . 0.0 110.972 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.11 -45.28 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 120.641 -1.287 . . . . 0.0 110.222 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -66.28 -47.52 73.38 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -124.05 -30.53 3.48 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.401 1.081 . . . . 0.0 113.546 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.23 -11.02 58.31 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.036 -1.04 . . . . 0.0 114.338 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.361 3.6 t 55.71 38.06 29.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.456 2.302 . . . . 0.0 114.923 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -61.27 144.82 53.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.157 0.983 . . . . 0.0 110.454 164.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -148.0 125.77 11.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.967 0.907 . . . . 0.0 111.943 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.32 170.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 127.53 2.332 . . . . 0.0 109.015 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -61.17 -171.53 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.813 1.645 . . . . 0.0 112.061 165.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.44 0.2 Allowed Glycine 0 N--CA 1.475 1.263 0 N-CA-C 118.037 1.975 . . . . 0.0 118.037 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -47.23 -66.0 0.47 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.689 1.745 . . . . 0.0 111.401 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -69.98 -34.6 73.57 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.235 -0.916 . . . . 0.0 113.097 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -51.38 -54.97 21.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.519 1.128 . . . . 0.0 110.01 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -61.82 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 117.186 -1.387 . . . . 0.0 112.306 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -54.98 -50.23 69.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.7 1.591 . . . . 0.0 111.605 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 pp -82.37 -20.22 37.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 119.535 -1.978 . . . . 0.0 115.102 -173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 p -84.8 -27.01 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.625 0.648 . . . . 0.0 111.843 170.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 t -69.73 -31.66 69.77 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.69 -1.256 . . . . 0.0 112.276 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.6 -55.54 7.47 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -38.32 78.56 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.48 -18.56 11.81 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -116.86 -32.46 5.1 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 161.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.75 -45.84 92.77 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.299 1.863 . . . . 0.0 112.992 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -75.95 -38.27 57.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 112.651 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.24 -57.52 2.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.36 -40.59 6.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -158.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m120 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 113.045 -173.502 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -123.67 153.93 40.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.606 1.962 . . . . 0.0 110.7 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.59 11.7 9.89 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.416 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.265 62.5 m 50.43 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.501 2.321 . . . . 0.0 115.719 -177.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.11 110.16 6.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 122.613 2.46 . . . . 0.0 113.416 170.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -86.4 -35.32 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.122 1.769 . . . . 0.0 111.941 -175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -1.36 31.82 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.934 1.254 . . . . 0.0 115.5 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.79 -59.56 0.51 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.754 1.221 . . . . 0.0 111.313 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 34.93 18.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.58 1.552 . . . . 0.0 114.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.84 166.08 9.62 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.747 176.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -30.2 -47.01 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.03 -30.67 62.54 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.374 -1.454 . . . . 0.0 114.212 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -98.78 12.07 36.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.893 2.877 . . . . 0.0 112.726 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -80.34 -8.56 59.55 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.839 -1.163 . . . . 0.0 113.755 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -41.85 -30.19 0.24 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.869 1.668 . . . . 0.0 114.4 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -52.34 -67.24 0.27 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.708 1.603 . . . . 0.0 112.654 166.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.453 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.52 -36.63 79.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 128.002 2.521 . . . . 0.0 109.391 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -53.62 53.6 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.939 1.296 . . . . 0.0 108.802 167.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.91 -45.7 70.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -160.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -52.74 -46.06 67.27 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 129.019 2.928 . . . . 0.0 115.975 174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.02 -28.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.908 0.776 . . . . 0.0 111.605 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.4 -32.38 54.77 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.027 0.931 . . . . 0.0 112.914 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.528 HG13 ' H ' ' B' ' 27' ' ' ASN . 14.2 pt -77.34 -65.12 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -172.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.528 ' H ' HG13 ' B' ' 26' ' ' ILE . 70.5 m-80 -141.74 11.5 2.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.115 2.166 . . . . 0.0 111.584 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 66.33 151.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.854 2.861 . . . . 0.0 116.602 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 54.6 26.67 7.61 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 165.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -73.55 -29.96 62.77 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.043 -1.661 . . . . 0.0 115.303 -171.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 -31.77 35.15 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.334 -1.479 . . . . 0.0 113.848 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.85 -34.68 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.29 -49.31 69.92 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.445 1.098 . . . . 0.0 109.189 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.44 -47.46 86.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.041 -1.457 . . . . 0.0 111.141 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -52.92 -53.82 43.88 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.913 1.688 . . . . 0.0 111.745 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -70.9 -35.67 72.39 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.434 1.016 . . . . 0.0 111.646 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -40.6 97.87 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.585 0.707 . . . . 0.0 111.051 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.84 -53.67 20.1 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 126.749 2.02 . . . . 0.0 110.497 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -57.77 -41.82 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.484 0.584 . . . . 0.0 111.5 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.16 -25.39 62.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.645 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.33 -27.69 68.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.771 1.169 . . . . 0.0 112.215 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.01 -51.79 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 120.468 -1.395 . . . . 0.0 109.975 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.95 -40.29 79.04 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -167.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 t -124.7 -28.67 3.52 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.514 1.125 . . . . 0.0 113.519 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.18 72.64 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.73 1.15 . . . . 0.0 112.994 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.56 45.99 18.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.47 1.908 . . . . 0.0 113.368 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -57.65 140.83 50.23 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.481 -0.762 . . . . 0.0 110.6 163.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -152.99 115.42 4.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.084 1.354 . . . . 0.0 110.1 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.451 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.68 164.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.321 1.848 . . . . 0.0 109.489 -177.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -76.24 60.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.111 2.564 . . . . 0.0 114.505 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.86 69.69 Favored Glycine 0 N--CA 1.468 0.806 0 C-N-CA 127.448 2.451 . . . . 0.0 115.149 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.22 -61.08 2.87 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.057 1.928 . . . . 0.0 110.393 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.451 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.0 t -61.83 -36.29 80.76 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.975 -1.078 . . . . 0.0 113.201 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -55.41 -55.74 28.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.887 1.275 . . . . 0.0 111.107 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -60.72 -41.43 95.27 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.229 1.411 . . . . 0.0 112.556 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.88 98.46 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.697 1.59 . . . . 0.0 111.929 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.83 -42.97 84.96 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 120.024 -1.672 . . . . 0.0 112.616 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.4 p -82.69 -24.38 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.221 0.608 . . . . 0.0 112.218 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.37 -34.66 68.12 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.892 -1.13 . . . . 0.0 112.345 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -46.95 -56.77 5.81 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.291 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 118.849 0.75 . . . . 0.0 112.339 175.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.08 -19.41 31.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.917 0.887 . . . . 0.0 113.2 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.252 24.4 mtt180 -117.18 -32.23 5.07 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 158.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.2 -46.66 87.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.036 1.743 . . . . 0.0 113.605 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -75.65 -38.22 59.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.081 1.352 . . . . 0.0 112.719 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -87.76 -55.87 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.587 1.555 . . . . 0.0 115.078 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -104.29 -78.17 0.56 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.395 1.878 . . . . 0.0 113.443 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.531 2.332 . . . . 0.0 112.435 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.085 0.469 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -71.29 152.69 43.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.846 1.258 . . . . 0.0 112.716 -169.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -120.65 8.04 10.6 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.459 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 51.1 m 50.93 -91.67 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.421 2.288 . . . . 0.0 114.997 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -131.96 96.36 3.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 121.395 1.907 . . . . 0.0 111.044 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.4 -33.84 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.068 1.347 . . . . 0.0 111.477 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.76 1.81 52.58 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.542 1.544 . . . . 0.0 115.425 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -135.79 -50.82 0.72 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.259 1.53 . . . . 0.0 110.072 160.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.73 36.61 18.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.459 1.504 . . . . 0.0 113.473 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.65 168.28 13.44 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.49 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -28.11 -49.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.27 -29.04 57.29 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.293 -1.504 . . . . 0.0 114.273 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -94.62 7.96 43.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.628 2.771 . . . . 0.0 113.188 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.51 -9.49 58.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.725 -1.235 . . . . 0.0 113.514 -170.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -45.0 -27.87 0.6 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.173 1.389 . . . . 0.0 113.845 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -49.29 -71.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.808 1.643 . . . . 0.0 113.467 163.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.476 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.1 mm? -67.67 -36.62 81.05 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.531 2.332 . . . . 0.0 109.698 -172.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -48.96 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 129.944 3.297 . . . . 0.0 111.306 166.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.88 -41.38 62.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 117.554 -1.659 . . . . 0.0 107.927 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.57 -34.29 76.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.332 1.853 . . . . 0.0 114.396 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.4 pt -80.22 -28.45 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.317 0.962 . . . . 0.0 112.737 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -72.45 -32.92 66.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.566 0.746 . . . . 0.0 112.582 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 125.059 1.343 . . . . 0.0 113.653 176.501 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.8 t80 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.06 -41.52 7.7 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.444 -1.41 . . . . 0.0 113.353 168.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.01 -39.72 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.252 -0.905 . . . . 0.0 111.489 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.78 -39.32 68.29 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.687 -0.633 . . . . 0.0 110.478 170.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.45 -46.98 80.76 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 117.195 -1.383 . . . . 0.0 110.788 173.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.4 tp -51.59 -56.12 15.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.409 1.459 . . . . 0.0 111.642 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -67.08 -38.89 86.52 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 121.381 0.61 . . . . 0.0 111.804 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -60.06 -44.79 94.47 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.565 0.697 . . . . 0.0 110.96 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.93 -55.49 14.37 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.869 2.068 . . . . 0.0 110.741 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.64 -43.15 82.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.882 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.49 -29.16 64.5 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 118.574 -1.25 . . . . 0.0 113.643 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.06 -23.18 63.04 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.191 -0.943 . . . . 0.0 111.532 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.55 -46.52 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 120.909 -1.119 . . . . 0.0 109.955 172.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -66.57 -47.83 71.56 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.256 1.022 . . . . 0.0 113.705 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -121.75 -28.93 4.43 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.304 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.93 -19.79 75.61 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 113.598 171.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 56.97 45.06 21.87 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.533 1.933 . . . . 0.0 114.048 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -57.48 143.32 41.03 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.277 -0.889 . . . . 0.0 110.277 160.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -144.25 122.05 11.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.262 1.025 . . . . 0.0 111.844 -174.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -164.43 171.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 127.607 2.363 . . . . 0.0 108.922 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.27 -170.77 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.353 1.861 . . . . 0.0 113.524 162.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.6 -6.38 0.47 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 117.458 1.743 . . . . 0.0 117.458 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -47.93 -64.41 0.8 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.913 1.856 . . . . 0.0 111.504 169.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 t -66.69 -36.64 82.99 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.888 -1.132 . . . . 0.0 113.094 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -52.22 -56.17 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.677 1.191 . . . . 0.0 110.209 170.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -45.12 94.96 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-O 116.705 -1.617 . . . . 0.0 112.47 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -51.81 -53.24 42.35 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.004 1.729 . . . . 0.0 111.768 171.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.25 -18.02 43.93 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 119.908 -1.745 . . . . 0.0 115.011 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -89.07 -26.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.592 0.633 . . . . 0.0 112.027 169.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.7 t -67.7 -30.01 69.41 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.508 -1.37 . . . . 0.0 112.089 171.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.93 -57.05 4.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.151 167.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -36.7 77.7 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.651 0.659 . . . . 0.0 112.072 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.0 -19.73 5.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -123.43 -26.63 4.21 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 162.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -65.39 -45.38 84.22 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.743 1.611 . . . . 0.0 112.987 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.9 -37.51 64.64 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.906 -1.121 . . . . 0.0 112.159 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.42 -60.5 1.82 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -102.67 -37.12 8.06 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -157.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.704 2.002 . . . . 0.0 112.211 -177.169 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -139.59 145.9 39.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.387 1.475 . . . . 0.0 110.98 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.08 8.79 11.64 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.437 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 56.2 m 50.87 -92.02 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.204 2.202 . . . . 0.0 114.269 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.83 95.46 3.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.991 1.723 . . . . 0.0 110.398 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -76.13 -34.42 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.97 0.908 . . . . 0.0 110.89 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.31 7.65 56.95 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.858 1.218 . . . . 0.0 113.957 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -139.65 -65.9 0.46 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.836 1.654 . . . . 0.0 110.511 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER 47.85 35.65 5.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.45 1.9 . . . . 0.0 114.441 -177.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -63.8 171.88 2.51 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 126.27 1.828 . . . . 0.0 112.467 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -39.66 -41.26 1.04 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.169 2.285 . . . . 0.0 117.169 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.15 -33.61 43.94 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.407 -1.433 . . . . 0.0 113.787 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.8 11.14 25.71 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.332 2.253 . . . . 0.0 113.052 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.2 -10.34 58.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.879 1.672 . . . . 0.0 114.353 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -41.92 -33.42 0.54 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.005 1.722 . . . . 0.0 113.676 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 1.3 tptp -48.55 -69.69 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.349 1.86 . . . . 0.0 113.029 165.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.41 -37.31 82.89 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.417 1.887 . . . . 0.0 109.843 -173.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -51.8 62.66 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 125.065 1.346 . . . . 0.0 108.561 169.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.74 -44.82 73.0 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -165.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.92 -37.48 68.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 128.187 2.595 . . . . 0.0 115.409 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -81.34 -27.26 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.348 0.976 . . . . 0.0 112.791 172.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -76.4 -31.66 58.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.409 1.083 . . . . 0.0 112.702 -176.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.4 pt -76.17 -176.43 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.981 1.312 . . . . 0.0 113.37 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -61.21 -28.88 69.46 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -150.38 144.03 25.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.512 1.125 . . . . 0.0 112.008 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.0 146.22 55.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.277 1.031 . . . . 0.0 111.939 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -142.21 -36.05 0.42 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -160.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.21 -45.04 5.51 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.051 1.341 . . . . 0.0 113.068 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.23 -40.2 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.506 1.122 . . . . 0.0 112.094 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.16 -43.39 67.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 171.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.89 -47.34 85.41 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.377 174.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 tp -52.0 -56.35 14.83 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.842 1.201 . . . . 0.0 112.112 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -68.36 -38.66 81.63 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.913 0.778 . . . . 0.0 111.464 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 t -61.28 -43.93 98.07 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.522 0.677 . . . . 0.0 110.718 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.29 -56.39 12.98 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.341 1.856 . . . . 0.0 110.763 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.77 -43.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.097 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.91 -29.27 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -69.88 -24.82 63.47 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.502 1.046 . . . . 0.0 111.139 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.1 -46.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.918 -1.113 . . . . 0.0 110.139 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.4 -46.48 69.88 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.6 t -120.62 -30.67 4.45 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.542 1.137 . . . . 0.0 113.192 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.81 -13.88 69.61 Favored Glycine 0 CA--C 1.541 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 114.248 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.307 74.4 p 52.46 39.91 28.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.36 2.264 . . . . 0.0 115.648 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -55.61 145.86 22.29 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.4 -0.813 . . . . 0.0 110.54 159.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -146.28 127.35 14.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.501 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.13 170.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 127.389 2.276 . . . . 0.0 109.009 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.17 -170.86 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.674 1.59 . . . . 0.0 111.822 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.67 -7.01 0.13 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 44.5 m -46.62 -67.63 0.26 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.723 1.762 . . . . 0.0 111.854 170.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -67.19 -35.25 79.25 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.096 -1.003 . . . . 0.0 113.021 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -52.31 -54.92 25.35 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 110.109 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -62.91 -42.81 99.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 124.748 1.219 . . . . 0.0 112.48 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -53.53 -53.01 57.67 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.467 1.485 . . . . 0.0 111.704 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.82 -20.33 39.3 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 119.68 -1.888 . . . . 0.0 114.838 -173.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 p -85.82 -26.36 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.68 0.673 . . . . 0.0 111.91 169.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 t -68.04 -32.8 73.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.584 -1.322 . . . . 0.0 111.356 171.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.68 -57.02 4.56 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.485 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -38.07 80.14 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.34 -18.0 9.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.326 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -121.86 -26.21 4.86 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 159.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.01 -47.52 82.75 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.381 1.901 . . . . 0.0 112.46 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -73.37 -35.82 65.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.303 1.441 . . . . 0.0 112.235 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -87.42 -60.48 1.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -176.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.06 -41.21 4.76 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -162.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -168.581 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 36.6 ttp180 -130.22 142.96 50.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.371 1.469 . . . . 0.0 110.821 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.4 mmt -124.66 73.41 1.26 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.78 0.8 . . . . 0.0 109.37 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.403 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 20.2 m -53.73 124.01 13.95 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.016 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.433 ' H ' ' HE2' ' A' ' 19' ' ' LYS 0.482 0.0 OUTLIER 35.69 67.54 0.28 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.284 3.434 . . . . 0.0 117.273 177.804 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mt -62.28 -30.29 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 169.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.09 5.03 57.44 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.089 0.852 . . . . 0.0 114.705 -167.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -140.83 -73.32 0.34 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.231 1.412 . . . . 0.0 111.233 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.11 47.29 19.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.764 2.026 . . . . 0.0 115.836 172.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -130.06 139.09 51.03 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -174.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.356 2.8 t 49.32 -84.15 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 129.819 3.247 . . . . 0.0 113.212 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 -29.11 70.22 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.226 1.01 . . . . 0.0 112.736 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -105.36 6.86 33.01 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 0.0 112.867 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.77 -15.03 61.07 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.94 -28.36 0.66 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE2' ' H ' ' A' ' 8' ' ' LEU . 2.2 tptt -48.9 -70.67 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.107 1.763 . . . . 0.0 113.698 163.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.04 -34.69 76.96 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 126.302 1.841 . . . . 0.0 110.331 -174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.55 -47.87 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 128.909 2.884 . . . . 0.0 110.936 168.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.73 -39.88 63.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.016 -1.874 . . . . 0.0 108.364 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.44 -22.44 66.96 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -91.33 -27.16 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.94 1.245 . . . . 0.0 112.703 167.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.85 -29.51 65.66 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.069 0.947 . . . . 0.0 112.497 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.1 pt . . . . . 0 N--CA 1.477 0.915 0 C-N-CA 125.249 1.42 . . . . 0.0 113.494 173.629 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.2 t80 . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.0 55.1 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.7 mm -74.42 -22.07 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 120.889 -1.132 . . . . 0.0 113.184 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.49 -41.9 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.632 -1.293 . . . . 0.0 110.177 171.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.38 -43.49 98.78 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.546 1.138 . . . . 0.0 111.093 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.4 tp -53.19 -51.58 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.153 1.342 . . . . 0.0 111.238 177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 m -65.0 -43.69 91.72 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 119.172 0.896 . . . . 0.0 111.988 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.1 p -61.82 -38.74 89.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.248 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.18 -52.67 13.28 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 126.086 1.755 . . . . 0.0 111.422 -174.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.88 -42.27 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 121.609 -0.682 . . . . 0.0 110.933 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.92 -27.32 61.8 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 118.492 -1.283 . . . . 0.0 113.342 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -67.87 -22.73 65.1 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.021 -1.049 . . . . 0.0 111.71 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.14 -47.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.579 -1.325 . . . . 0.0 110.43 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.55 -47.42 75.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 0.0 113.508 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -118.6 -33.06 4.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.609 1.164 . . . . 0.0 112.868 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -19.33 71.88 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 121.184 -0.948 . . . . 0.0 113.739 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.78 41.62 21.35 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.629 1.972 . . . . 0.0 114.272 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.41 145.19 56.47 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.073 -1.017 . . . . 0.0 110.821 161.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -150.67 137.1 18.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.392 1.077 . . . . 0.0 112.423 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 53' ' ' THR . 3.0 p -163.42 164.87 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 127.203 2.201 . . . . 0.0 109.545 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.65 -22.83 64.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -163.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.06 -11.46 0.03 OUTLIER Glycine 0 N--CA 1.467 0.719 0 C-N-CA 124.818 1.199 . . . . 0.0 114.185 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -49.88 -58.2 5.89 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.819 1.248 . . . . 0.0 110.691 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.439 ' H ' HG12 ' A' ' 49' ' ' VAL . 9.9 t -65.49 -44.33 87.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.261 -0.899 . . . . 0.0 112.531 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -47.09 -53.17 13.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.97 0.908 . . . . 0.0 110.655 172.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -60.64 -43.6 97.37 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.666 1.586 . . . . 0.0 112.369 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -57.62 -52.07 66.92 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.704 1.593 . . . . 0.0 111.717 172.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -70.28 -34.42 72.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 119.605 -1.934 . . . . 0.0 111.553 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.83 -30.65 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.27 0.628 . . . . 0.0 112.548 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 t -71.94 -35.51 69.62 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.276 -1.515 . . . . 0.0 111.966 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -46.32 -59.73 2.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.458 1.103 . . . . 0.0 110.048 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -40.33 82.59 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.513 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.46 -15.17 24.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.547 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -112.09 -32.3 6.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 159.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -67.4 -44.87 77.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 121.583 1.992 . . . . 0.0 113.868 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -73.64 -31.0 63.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.868 1.267 . . . . 0.0 112.685 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -101.77 -65.07 1.0 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -92.93 -41.46 10.01 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -163.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.988 1.315 . . . . 0.0 113.141 -171.617 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -129.23 152.77 48.44 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.427 1.891 . . . . 0.0 111.361 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -121.12 11.66 10.95 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.257 49.1 m 48.13 -90.97 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.218 2.207 . . . . 0.0 115.458 -178.241 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 90.67 2.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 121.699 2.045 . . . . 0.0 112.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -72.02 -31.2 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 110.894 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.67 4.79 65.31 Favored Glycine 0 CA--C 1.545 1.949 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.64 -63.76 0.61 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.556 1.178 . . . . 0.0 111.236 168.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.28 31.38 11.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -62.21 168.21 3.55 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 124.851 1.26 . . . . 0.0 111.543 175.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.1 t -33.66 -47.55 0.24 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -72.13 -34.32 68.48 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.392 -1.443 . . . . 0.0 113.724 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -94.71 11.9 29.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.358 2.663 . . . . 0.0 112.875 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.55 -9.4 59.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 113.465 -171.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.37 -27.47 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.103 1.361 . . . . 0.0 114.502 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.3 tptp -50.9 -69.47 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.639 1.575 . . . . 0.0 113.673 163.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.455 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.1 mm? -67.93 -39.01 83.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 127.505 2.322 . . . . 0.0 109.327 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.66 -49.86 26.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 130.084 3.354 . . . . 0.0 111.513 165.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.81 -43.76 57.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 118.107 -1.437 . . . . 0.0 108.608 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.08 -33.56 72.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.217 1.807 . . . . 0.0 114.058 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 pt -82.97 -28.65 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.65 -33.62 69.06 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 112.518 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 pt -77.53 -178.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 124.548 1.139 . . . . 0.0 113.522 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -63.79 -29.03 70.28 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 -167.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -147.86 156.56 42.83 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.426 1.09 . . . . 0.0 112.412 168.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -62.13 149.74 40.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.97 1.308 . . . . 0.0 112.147 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -137.4 -42.47 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -170.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.31 -43.37 0.79 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.918 1.687 . . . . 0.0 113.908 168.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.98 -39.84 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.284 1.034 . . . . 0.0 112.113 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.65 -38.75 75.62 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.238 -0.914 . . . . 0.0 110.19 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.03 -45.22 94.55 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.542 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.29 -53.79 32.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.767 1.621 . . . . 0.0 111.256 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.4 -39.7 95.21 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.336 1.065 . . . . 0.0 113.03 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -41.82 99.01 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.667 1.222 . . . . 0.0 111.446 177.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.58 -54.4 16.81 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.923 2.089 . . . . 0.0 110.558 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -58.5 -40.53 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 O-C-N 121.658 -0.651 . . . . 0.0 111.566 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -70.57 -27.1 63.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.082 175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -63.59 -31.39 72.54 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.601 1.091 . . . . 0.0 112.047 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.32 -51.81 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 120.333 -1.479 . . . . 0.0 110.515 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -66.72 -39.48 88.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.941 1.296 . . . . 0.0 113.797 -167.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -133.56 -23.14 1.87 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.609 1.164 . . . . 0.0 113.805 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.16 -21.69 73.95 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 119.656 1.117 . . . . 0.0 112.134 167.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 59.32 48.69 9.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.528 1.931 . . . . 0.0 112.797 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -51.56 131.62 29.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.598 -0.689 . . . . 0.0 109.834 163.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -139.53 33.34 2.05 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.483 1.513 . . . . 0.0 113.157 -167.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -89.48 170.72 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 127.403 2.281 . . . . 0.0 110.627 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.81 -170.38 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.753 2.021 . . . . 0.0 112.916 162.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.28 -7.4 0.36 Allowed Glycine 0 N--CA 1.472 1.062 0 N-CA-C 118.027 1.971 . . . . 0.0 118.027 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -47.51 -65.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.401 2.101 . . . . 0.0 111.688 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.3 t -68.08 -33.32 74.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.056 -1.027 . . . . 0.0 113.054 -175.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -55.41 -53.32 57.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.492 1.117 . . . . 0.0 110.24 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -60.5 -43.35 97.12 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 125.6 1.56 . . . . 0.0 111.997 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.52 -43.31 89.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.228 1.376 . . . . 0.0 112.236 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.31 -42.66 71.69 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.495 -1.378 . . . . 0.0 112.509 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -79.8 -29.16 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.205 0.602 . . . . 0.0 112.095 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -70.54 -33.37 71.08 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.77 -1.207 . . . . 0.0 112.251 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -58.97 3.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.014 174.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -35.86 81.33 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.73 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -58.97 -18.89 38.18 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -114.68 -24.62 8.65 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 159.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -75.03 -48.73 22.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 122.071 2.214 . . . . 0.0 113.332 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -67.2 -30.88 70.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.993 1.317 . . . . 0.0 112.351 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -97.99 -61.01 1.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.12 -40.32 5.24 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -155.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.966 2.106 . . . . 0.0 111.889 -178.426 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -128.18 155.32 44.67 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.189 1.795 . . . . 0.0 111.046 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -123.63 10.68 9.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.471 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 68.7 m 48.71 -82.27 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.942 2.497 . . . . 0.0 116.272 -177.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.3 109.11 6.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 122.268 2.304 . . . . 0.0 113.468 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -88.66 -35.19 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.112 1.765 . . . . 0.0 111.835 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.62 -5.38 26.21 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.398 1.319 . . . . 0.0 116.398 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -139.88 -44.07 0.43 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.491 1.645 . . . . 0.0 111.535 167.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.32 40.2 10.19 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.171 2.188 . . . . 0.0 115.183 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.17 171.05 15.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.072 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -24.46 -52.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.92 -22.31 42.88 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.154 -1.591 . . . . 0.0 114.149 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -100.38 8.68 43.48 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.242 3.017 . . . . 0.0 112.945 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -75.52 -12.39 60.22 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.787 -1.195 . . . . 0.0 113.629 -170.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.41 -28.29 0.54 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.558 1.543 . . . . 0.0 114.106 -172.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -50.89 -71.29 0.07 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.87 1.668 . . . . 0.0 113.676 163.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.63 -35.15 79.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.028 2.131 . . . . 0.0 109.747 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -48.05 64.88 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 129.462 3.105 . . . . 0.0 111.574 167.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -73.34 -40.56 64.35 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.651 -1.62 . . . . 0.0 108.825 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -66.58 -18.13 65.2 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.414 1.885 . . . . 0.0 114.943 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -95.38 -27.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.027 0.931 . . . . 0.0 113.134 165.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.37 -29.92 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.379 1.072 . . . . 0.0 112.377 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 pt . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 125.243 1.417 . . . . 0.0 113.519 173.762 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.2 t80 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.47 -35.11 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.055 2.142 . . . . 0.0 114.715 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.48 -35.03 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 O-C-N 121.239 -0.913 . . . . 0.0 112.255 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.87 -42.95 85.6 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 120.641 -1.287 . . . . 0.0 110.032 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.75 -51.16 70.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.499 -1.239 . . . . 0.0 109.679 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -49.35 -55.42 12.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.699 1.136 . . . . 0.0 111.959 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -66.43 -41.65 88.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.601 0.637 . . . . 0.0 111.58 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -42.12 93.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.273 1.035 . . . . 0.0 110.773 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -73.04 -52.26 15.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.02 1.728 . . . . 0.0 110.737 -172.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.24 -40.75 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.9 . . . . 0.0 111.637 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.07 -26.8 62.31 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.854 -1.138 . . . . 0.0 113.267 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -66.45 -23.93 66.35 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.541 1.064 . . . . 0.0 111.79 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.09 -50.74 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 120.463 -1.398 . . . . 0.0 110.329 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.79 -45.87 80.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.159 0.983 . . . . 0.0 113.608 -170.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -118.32 -31.31 5.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.545 1.138 . . . . 0.0 112.993 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.41 -15.8 75.25 Favored Glycine 0 CA--C 1.54 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 114.14 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.309 77.2 p 54.11 44.49 29.14 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.037 2.135 . . . . 0.0 115.282 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.48 139.57 57.96 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.534 -0.728 . . . . 0.0 110.6 159.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -150.45 137.73 19.51 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.717 1.607 . . . . 0.0 110.297 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.521 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -164.84 161.66 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 126.281 1.832 . . . . 0.0 110.221 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -77.05 65.57 2.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.614 2.366 . . . . 0.0 115.157 -168.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.93 -12.14 62.75 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 127.652 2.548 . . . . 0.0 115.026 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.6 m -59.88 -58.5 8.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.232 1.516 . . . . 0.0 110.063 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.521 ' H ' HG13 ' A' ' 49' ' ' VAL . 10.9 t -64.29 -38.66 91.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.122 -0.986 . . . . 0.0 113.217 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -50.21 -56.52 10.75 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.091 0.956 . . . . 0.0 110.21 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -60.85 -43.9 97.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 124.94 1.296 . . . . 0.0 112.845 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -60.93 -44.84 96.64 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.918 1.69 . . . . 0.0 112.247 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.23 -26.47 35.84 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 119.921 -1.737 . . . . 0.0 113.695 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 p -77.87 -29.03 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 119.297 0.953 . . . . 0.0 111.832 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 t -72.49 -32.97 66.62 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.307 -1.496 . . . . 0.0 112.32 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.87 -55.83 6.18 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.094 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -40.31 78.36 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.72 -15.99 14.55 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.641 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -111.22 -36.57 5.56 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 160.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.909 1.686 . . . . 0.0 112.855 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -73.59 -34.17 64.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.675 1.59 . . . . 0.0 112.273 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.13 -63.16 1.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -87.17 -44.26 11.62 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -164.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.405 1.482 . . . . 0.0 113.088 -171.323 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 122.299 1.047 . . . . 0.0 113.032 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.41 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 51.5 ttp180 -57.79 149.89 21.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.146 2.579 . . . . 0.0 112.519 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -126.61 59.58 1.36 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.722 0.772 . . . . 0.0 112.354 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.407 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 70.1 m -66.66 109.16 2.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.24 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -130.38 139.05 50.66 Favored 'General case' 0 CA--C 1.536 0.412 1 C-N-CA 135.814 5.645 . . . . 0.0 107.003 -6.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -89.94 -30.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.393 0.677 . . . . 0.0 112.46 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.98 6.85 63.04 Favored Glycine 0 CA--C 1.545 1.908 0 C-N-CA 124.498 1.047 . . . . 0.0 114.383 -171.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.53 -65.41 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.441 1.496 . . . . 0.0 110.604 167.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.42 34.09 17.38 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.379 1.472 . . . . 0.0 114.017 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.45 166.99 2.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.156 1.782 . . . . 0.0 111.723 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -37.67 -43.0 0.6 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -173.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -31.95 51.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.21 -1.556 . . . . 0.0 113.79 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -91.39 8.49 35.97 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.941 2.496 . . . . 0.0 113.113 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.17 -10.77 59.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 113.879 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.45 -28.91 0.62 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.231 1.412 . . . . 0.0 114.213 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.41 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.7 tptt -48.29 -70.34 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.568 1.547 . . . . 0.0 112.338 164.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.465 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.0 mm? -68.6 -36.92 79.35 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.741 2.416 . . . . 0.0 110.107 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -52.21 66.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.132 1.373 . . . . 0.0 108.433 169.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -38.83 69.85 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 115.905 -2.318 . . . . 0.0 106.618 -164.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -54.75 -34.76 62.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.117 2.167 . . . . 0.0 116.201 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.4 pt -81.44 -27.19 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 121.909 2.14 . . . . 0.0 112.654 169.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -78.72 -31.61 46.48 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.43 1.092 . . . . 0.0 113.178 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.6 pt -77.74 -169.05 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 125.036 1.334 . . . . 0.0 113.38 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -49.2 -42.89 41.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.628 2.371 . . . . 0.0 114.782 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -155.03 161.48 41.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.428 1.491 . . . . 0.0 111.846 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.15 144.39 45.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.349 1.06 . . . . 0.0 111.924 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -140.35 -32.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -167.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.03 -40.22 60.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.546 1.521 . . . . 0.0 112.255 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.4 -40.36 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.388 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -59.23 -41.11 87.91 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.364 -0.835 . . . . 0.0 110.742 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.42 -40.77 96.41 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 116.353 -1.784 . . . . 0.0 111.592 171.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.9 tp -54.29 -55.43 28.39 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 121.187 1.812 . . . . 0.0 111.081 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.0 t -66.54 -37.39 84.88 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 121.879 0.847 . . . . 0.0 111.904 -176.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t -61.28 -45.51 94.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.638 0.732 . . . . 0.0 110.729 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.32 -50.25 41.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.822 2.049 . . . . 0.0 111.838 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.1 -40.74 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 121.503 -0.748 . . . . 0.0 111.188 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.69 -25.18 61.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 118.681 -1.208 . . . . 0.0 113.966 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.26 -28.62 70.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.274 0.943 . . . . 0.0 111.459 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.95 -51.58 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.706 -1.246 . . . . 0.0 110.824 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.78 -39.01 92.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.658 1.183 . . . . 0.0 113.547 -168.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -127.67 -32.47 2.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.67 1.188 . . . . 0.0 113.647 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.36 -22.22 72.8 Favored Glycine 0 CA--C 1.535 1.33 0 O-C-N 121.0 -1.062 . . . . 0.0 113.01 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m 54.41 47.36 23.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.334 1.854 . . . . 0.0 112.806 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.86 -66.07 0.28 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.569 2.348 . . . . 0.0 113.721 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 50.03 46.64 24.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.474 2.31 . . . . 0.0 114.964 164.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.14 -163.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.251 1.02 . . . . 0.0 110.458 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.95 -178.69 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 162.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.35 -7.14 0.79 Allowed Glycine 0 N--CA 1.471 1.0 0 O-C-N 119.929 -1.732 . . . . 0.0 117.395 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -46.92 -64.06 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.662 2.231 . . . . 0.0 111.81 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.4 t -66.23 -35.25 79.93 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.976 -1.078 . . . . 0.0 112.617 -174.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -56.26 -55.47 32.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.045 1.338 . . . . 0.0 110.688 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -60.93 -43.36 98.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 125.833 1.653 . . . . 0.0 112.295 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -56.69 -44.93 81.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.359 1.436 . . . . 0.0 111.834 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.98 -39.26 72.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 119.74 -1.85 . . . . 0.0 113.243 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.68 -25.22 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.972 0.509 . . . . 0.0 112.167 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.758 -1.214 . . . . 0.0 112.024 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.89 -59.26 2.92 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.457 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -37.76 84.39 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.87 -24.37 15.72 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 118.147 -0.93 . . . . 0.0 112.435 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -117.24 -27.87 6.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 166.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -66.37 -43.89 84.66 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 121.184 1.811 . . . . 0.0 112.982 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -75.28 -33.9 61.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.338 1.055 . . . . 0.0 112.467 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.47 -63.2 1.15 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -99.75 -42.7 6.73 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -160.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.355 1.862 . . . . 0.0 113.19 -175.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.513 0.673 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -62.18 151.31 36.34 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.515 1.126 . . . . 0.0 110.781 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -117.87 9.56 12.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 71.9 m 44.86 -88.02 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.162 2.585 . . . . 0.0 115.266 -176.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -126.97 90.39 3.14 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 121.04 1.746 . . . . 0.0 110.608 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.7 -39.36 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.516 -0.74 . . . . 0.0 110.45 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.72 6.78 54.28 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 124.598 1.094 . . . . 0.0 113.992 -169.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.87 -64.36 0.48 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.275 1.43 . . . . 0.0 110.621 168.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.05 34.11 16.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.436 1.494 . . . . 0.0 114.282 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 165.07 6.68 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.258 1.423 . . . . 0.0 111.218 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -32.99 -45.15 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.718 2.488 . . . . 0.0 117.718 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.67 -32.08 60.01 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.097 -1.627 . . . . 0.0 113.812 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -93.36 4.75 53.46 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.195 2.598 . . . . 0.0 113.102 174.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.7 -10.88 60.05 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.474 1.51 . . . . 0.0 114.293 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -43.5 -28.06 0.33 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.037 1.735 . . . . 0.0 114.834 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.5 tptp -50.64 -69.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.983 1.713 . . . . 0.0 112.734 163.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.13 -36.78 77.83 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.866 2.466 . . . . 0.0 109.555 -173.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -51.8 66.09 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.292 1.437 . . . . 0.0 108.362 168.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.2 tp -69.54 -46.12 67.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 117.114 -1.835 . . . . 0.0 106.616 -164.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -50.66 -42.69 56.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.997 2.519 . . . . 0.0 115.2 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -77.38 -28.07 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 119.716 1.144 . . . . 0.0 112.237 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -76.25 -30.86 58.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.986 0.915 . . . . 0.0 112.629 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.294 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 47.49 -48.73 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.362 3.065 . . . . 0.0 116.097 -141.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mm -69.56 -27.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 126.156 1.782 . . . . 0.0 113.372 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -44.68 78.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.911 0.862 . . . . 0.0 109.13 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.92 -45.98 86.84 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 117.179 -1.391 . . . . 0.0 110.473 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -50.89 -55.89 14.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.029 1.286 . . . . 0.0 112.18 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -66.52 -39.4 88.63 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 118.788 0.722 . . . . 0.0 111.626 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 t -61.03 -44.66 97.07 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.79 0.805 . . . . 0.0 110.918 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -66.04 -54.57 24.18 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.494 1.917 . . . . 0.0 110.855 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.95 -40.84 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 O-C-N 121.827 -0.546 . . . . 0.0 111.63 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.66 -27.33 63.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.118 174.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.84 -25.14 65.4 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.731 1.151 . . . . 0.0 111.824 172.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -82.06 -48.59 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.479 -1.388 . . . . 0.0 110.222 170.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.4 -45.72 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -171.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -118.56 -31.97 4.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.579 1.152 . . . . 0.0 113.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.08 -19.08 71.62 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.976 -1.078 . . . . 0.0 113.286 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 59.17 39.65 22.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.47 1.908 . . . . 0.0 113.803 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -66.81 135.78 54.45 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.155 -0.965 . . . . 0.0 110.254 162.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -161.86 121.66 2.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.856 1.262 . . . . 0.0 110.626 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.01 -160.6 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.937 1.695 . . . . 0.0 110.226 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -56.33 -175.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.986 1.714 . . . . 0.0 113.905 163.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.68 -6.83 0.8 Allowed Glycine 0 N--CA 1.472 1.079 0 N-CA-C 117.22 1.648 . . . . 0.0 117.22 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -48.03 -64.04 0.9 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.977 1.889 . . . . 0.0 111.432 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 t -66.7 -37.28 84.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.041 -1.037 . . . . 0.0 112.964 -174.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.24 -56.34 13.42 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.914 1.286 . . . . 0.0 110.43 169.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -62.76 -42.64 99.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.348 1.459 . . . . 0.0 113.321 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -54.38 -51.85 63.51 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.74 1.609 . . . . 0.0 111.086 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.01 -36.28 74.99 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.136 -1.602 . . . . 0.0 112.619 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p -82.24 -26.75 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.289 0.635 . . . . 0.0 112.259 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 t -69.84 -33.74 72.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.689 -1.257 . . . . 0.0 112.163 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.83 -56.68 5.08 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.57 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -37.3 73.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.218 -0.42 . . . . 0.0 112.108 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.81 -18.32 12.44 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.465 -0.779 . . . . 0.0 112.872 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -121.5 -23.34 5.65 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 161.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -65.3 -50.53 65.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 122.021 2.191 . . . . 0.0 112.731 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.74 -34.1 73.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.873 1.269 . . . . 0.0 112.246 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -86.5 -58.86 2.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.547 1.939 . . . . 0.0 115.736 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.11 -42.64 3.04 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -159.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.828 2.051 . . . . 0.0 112.503 -174.426 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtm . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -142.77 149.1 38.26 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.21 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 91.5 mmm -120.74 10.77 11.04 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.457 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 67.4 m 48.57 -93.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.239 2.216 . . . . 0.0 114.982 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.7 90.35 2.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 121.393 1.906 . . . . 0.0 110.59 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -70.46 -31.6 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 111.051 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.97 8.47 60.39 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.107 0.86 . . . . 0.0 113.581 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.26 -63.64 0.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.953 1.701 . . . . 0.0 110.969 172.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.66 41.21 25.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.829 2.052 . . . . 0.0 114.402 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.77 107.39 19.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.225 -0.922 . . . . 0.0 113.437 -158.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.6 t 50.4 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.75 2.82 . . . . 0.0 115.153 176.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.21 -32.34 72.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.792 1.237 . . . . 0.0 112.637 165.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -102.81 9.52 38.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.188 0.995 . . . . 0.0 112.453 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.44 -9.16 39.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -45.18 -29.35 0.93 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 120.194 1.361 . . . . 0.0 114.331 -175.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.0 tptp -48.28 -68.46 0.18 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.873 1.669 . . . . 0.0 113.374 164.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.434 HD23 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.91 -36.77 78.41 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.64 2.376 . . . . 0.0 109.584 -172.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -48.27 64.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 129.169 2.988 . . . . 0.0 111.311 167.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.32 -44.47 58.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 118.607 -1.237 . . . . 0.0 107.911 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -60.4 -29.24 68.84 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.917 2.087 . . . . 0.0 115.257 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.52 -27.96 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 170.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.22 -30.21 64.7 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.907 0.883 . . . . 0.0 112.742 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.33 -175.48 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.304 1.441 . . . . 0.0 113.397 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.7 -28.96 64.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -170.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.16 139.45 48.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.39 1.476 . . . . 0.0 113.027 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.73 81.93 2.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.281 1.433 . . . . 0.0 111.663 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -73.61 -33.27 64.51 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -159.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.2 -41.95 13.48 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.201 1.401 . . . . 0.0 113.316 171.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.87 -40.69 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.973 0.909 . . . . 0.0 112.162 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.47 -38.55 74.71 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.503 -0.748 . . . . 0.0 110.276 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.54 -42.68 95.58 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 117.381 -1.295 . . . . 0.0 110.664 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.1 tp -54.88 -56.97 13.7 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.093 1.315 . . . . 0.0 111.721 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -66.97 -37.01 83.47 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.066 0.936 . . . . 0.0 112.038 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -62.56 -44.47 96.26 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.688 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.17 -53.19 40.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.752 1.621 . . . . 0.0 111.283 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.41 -40.23 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.748 -0.595 . . . . 0.0 111.559 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.19 -26.01 62.77 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 118.617 -1.233 . . . . 0.0 113.5 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.12 -32.02 73.3 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.965 -1.084 . . . . 0.0 111.511 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.88 -51.22 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.152 -1.592 . . . . 0.0 110.32 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -68.41 -40.41 81.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -167.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -127.98 -26.94 2.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.875 1.27 . . . . 0.0 113.485 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -21.76 75.07 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 112.779 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.95 45.05 15.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.321 1.848 . . . . 0.0 113.113 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.01 135.87 48.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.788 1.235 . . . . 0.0 110.368 166.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -152.08 115.07 4.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.531 1.132 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.461 HG12 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.93 163.12 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.318 1.847 . . . . 0.0 109.46 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -77.05 62.85 2.24 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.863 2.465 . . . . 0.0 114.473 -168.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 -7.71 68.25 Favored Glycine 0 N--CA 1.468 0.8 0 C-N-CA 127.318 2.389 . . . . 0.0 114.895 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 74.2 m -60.84 -61.51 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.019 1.909 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.461 ' H ' HG12 ' B' ' 49' ' ' VAL . 7.3 t -60.98 -36.75 80.26 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.92 -1.113 . . . . 0.0 113.13 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -54.31 -56.76 15.32 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.664 1.186 . . . . 0.0 110.518 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -59.87 -45.05 93.69 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.447 1.499 . . . . 0.0 112.766 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -54.03 -46.8 71.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 120.749 1.613 . . . . 0.0 111.831 172.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -70.75 -38.14 73.48 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.262 -1.524 . . . . 0.0 113.297 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -84.81 -23.8 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -70.62 -34.65 72.33 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.832 -1.167 . . . . 0.0 111.398 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.03 3.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.633 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -36.98 84.65 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.148 0.431 . . . . 0.0 111.877 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -56.45 -18.92 12.83 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -122.04 -27.8 4.52 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 159.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -63.17 -46.92 84.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.943 1.701 . . . . 0.0 113.007 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -72.67 -38.3 67.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.414 1.086 . . . . 0.0 112.246 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -86.9 -56.0 3.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.69 -35.4 4.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -157.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.442 1.897 . . . . 0.0 112.607 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.425 0.155 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -126.45 138.46 53.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.008 0.923 . . . . 0.0 112.397 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.1 mmm -125.84 67.37 1.18 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.98 0.8 . . . . 0.0 109.868 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.402 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 34.5 m -48.82 115.07 1.13 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.963 0.887 . . . . 0.0 113.361 -171.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.293 1.7 mt 50.19 75.64 0.17 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 130.138 3.375 . . . . 0.0 113.8 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -67.51 -32.46 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.271 170.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.48 0.63 56.73 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.838 1.685 . . . . 0.0 114.791 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -135.45 -58.11 0.79 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.539 1.17 . . . . 0.0 110.174 168.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 41.65 24.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 114.589 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.15 100.99 13.71 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.115 0.966 . . . . 0.0 113.307 -161.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.317 4.5 t 52.83 -69.44 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 128.898 2.879 . . . . 0.0 115.585 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.71 -28.28 68.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.658 -1.276 . . . . 0.0 112.253 165.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -101.07 6.62 43.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.382 1.073 . . . . 0.0 111.849 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.4 -9.3 55.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -43.6 -31.26 0.72 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 120.62 1.554 . . . . 0.0 114.688 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 7' ' ' SER . 1.2 tptt -49.95 -66.42 0.4 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.413 1.485 . . . . 0.0 112.447 167.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.77 -37.05 73.33 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.539 2.336 . . . . 0.0 109.771 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -51.58 66.14 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.731 1.212 . . . . 0.0 108.853 169.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.72 -45.13 72.34 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -164.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -54.51 -45.3 73.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.536 2.334 . . . . 0.0 115.247 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 pt -74.58 -26.48 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.696 1.589 . . . . 0.0 112.332 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 tp -76.82 -32.78 57.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.117 0.967 . . . . 0.0 112.633 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 124.846 1.259 . . . . 0.0 113.026 174.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.03 27.2 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.132 0.878 . . . . 0.0 112.496 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.2 mm -74.64 -30.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.71 -41.24 97.34 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.126 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.99 -47.35 85.5 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.264 -1.35 . . . . 0.0 111.91 169.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -49.35 -54.9 14.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.941 1.246 . . . . 0.0 110.988 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.7 p -64.0 -38.63 91.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 119.176 0.898 . . . . 0.0 112.644 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -63.48 -42.66 98.57 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 122.649 1.214 . . . . 0.0 109.921 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.02 -53.44 20.47 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.873 2.469 . . . . 0.0 110.737 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.52 -43.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.88 -0.512 . . . . 0.0 111.0 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.94 -28.22 63.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.218 -0.993 . . . . 0.0 113.31 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.47 -31.2 71.8 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.336 0.971 . . . . 0.0 110.358 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.94 -43.84 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 120.933 -1.104 . . . . 0.0 110.342 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.09 -50.19 56.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.315 1.046 . . . . 0.0 113.822 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -120.24 -29.35 4.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.579 1.152 . . . . 0.0 113.224 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.53 -20.0 73.36 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 113.618 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.08 45.71 20.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.742 2.017 . . . . 0.0 113.827 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -58.72 149.59 25.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.186 0.994 . . . . 0.0 110.944 165.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.59 117.35 10.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.272 1.029 . . . . 0.0 111.384 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -160.74 167.25 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.659 1.984 . . . . 0.0 109.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -64.07 -170.58 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.297 1.839 . . . . 0.0 112.013 167.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.41 -6.3 0.27 Allowed Glycine 0 N--CA 1.472 1.097 0 N-CA-C 118.032 1.973 . . . . 0.0 118.032 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.9 m -46.11 -66.75 0.36 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.82 1.81 . . . . 0.0 111.72 170.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -67.19 -36.47 81.83 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.35 -0.844 . . . . 0.0 112.72 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -52.73 -53.32 49.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.816 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -64.74 -44.0 91.54 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 125.009 1.324 . . . . 0.0 112.301 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -52.62 -50.53 62.93 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.349 1.431 . . . . 0.0 110.889 168.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.09 -36.72 77.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 119.839 -1.788 . . . . 0.0 113.022 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 p -84.2 -27.25 7.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.528 0.731 . . . . 0.0 112.148 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 t -71.34 -34.26 70.35 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.739 -1.226 . . . . 0.0 112.181 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.98 -60.3 2.34 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.258 1.423 . . . . 0.0 109.793 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -36.67 74.79 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.684 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.32 -20.8 20.63 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.683 -0.675 . . . . 0.0 112.578 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HG3' HH11 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -114.09 -31.87 6.21 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 167.225 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.7 -55.25 18.38 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.306 0.957 . . . . 0.0 113.46 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -68.37 -34.51 76.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.974 1.31 . . . . 0.0 112.267 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.43 -59.34 2.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 115.448 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -106.35 -47.21 3.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -161.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.533 1.933 . . . . 0.0 112.926 -171.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.434 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 36.5 ttp180 -100.92 142.47 32.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -121.22 67.05 0.87 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.571 0.7 . . . . 0.0 109.605 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 57.5 m -50.45 114.01 1.02 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.052 0.929 . . . . 0.0 112.759 -172.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt 51.58 73.42 0.31 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.175 2.99 . . . . 0.0 113.987 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.92 -31.75 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.464 1.106 . . . . 0.0 111.467 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.79 2.4 56.23 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.952 1.739 . . . . 0.0 114.854 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.96 -55.04 0.66 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.722 1.209 . . . . 0.0 110.869 168.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.75 39.31 31.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 114.515 176.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.81 108.0 20.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -159.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.333 5.0 t 50.78 -72.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.961 2.905 . . . . 0.0 115.703 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.58 -29.89 71.08 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.662 -1.274 . . . . 0.0 112.092 166.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -99.5 5.0 46.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.847 1.659 . . . . 0.0 111.985 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.96 -8.54 45.54 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -45.41 -28.29 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 121.011 1.732 . . . . 0.0 114.903 -174.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.434 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.5 OUTLIER -51.92 -67.64 0.23 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.019 1.728 . . . . 0.0 113.584 165.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.461 HD23 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -70.58 -35.28 72.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.725 2.41 . . . . 0.0 109.745 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -49.86 54.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.029 2.932 . . . . 0.0 111.342 165.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -73.48 -40.53 64.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 117.049 -1.86 . . . . 0.0 108.813 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -63.54 -15.02 56.82 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.135 2.174 . . . . 0.0 116.242 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -101.42 -26.39 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.859 1.209 . . . . 0.0 113.183 164.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.39 -29.96 62.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.474 1.109 . . . . 0.0 113.064 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -76.45 -178.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.424 1.09 . . . . 0.0 113.683 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -62.17 -25.0 67.51 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -139.68 153.8 47.35 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.949 1.3 . . . . 0.0 112.685 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -72.16 129.51 38.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.588 0.755 . . . . 0.0 111.791 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -118.61 -145.46 0.38 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.945 1.298 . . . . 0.0 111.789 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 48.64 -44.41 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.736 3.214 . . . . 0.0 117.015 -153.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.51 -30.06 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.111 1.364 . . . . 0.0 113.154 -164.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.35 -40.4 82.09 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.241 -0.912 . . . . 0.0 110.152 169.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.78 -46.77 88.12 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.618 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -47.11 -55.81 7.7 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.135 1.334 . . . . 0.0 111.386 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -64.4 -40.98 96.85 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.317 0.962 . . . . 0.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.97 96.76 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.218 1.009 . . . . 0.0 111.337 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -69.35 -55.53 10.15 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 128.007 2.523 . . . . 0.0 110.641 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.53 -42.82 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 O-C-N 121.743 -0.598 . . . . 0.0 111.097 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.55 -29.62 63.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 119.255 -0.978 . . . . 0.0 113.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.87 -27.39 65.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.619 1.099 . . . . 0.0 110.848 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.63 -41.76 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 121.199 -0.938 . . . . 0.0 110.858 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -67.99 -52.08 39.92 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -120.25 -31.92 4.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.818 1.247 . . . . 0.0 112.882 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.49 -18.97 64.11 Favored Glycine 0 CA--C 1.538 1.528 0 O-C-N 121.186 -0.947 . . . . 0.0 113.336 170.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m 57.38 43.84 22.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 113.604 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -58.55 149.52 25.29 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.987 161.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -140.47 119.6 12.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.288 1.035 . . . . 0.0 111.301 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.97 168.12 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.894 2.078 . . . . 0.0 109.543 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -64.4 -171.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.229 1.812 . . . . 0.0 111.871 167.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.3 -5.91 0.23 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 118.064 1.986 . . . . 0.0 118.064 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 48.7 m -45.51 -68.51 0.19 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.803 1.802 . . . . 0.0 111.708 170.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.78 -35.17 78.2 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.156 -0.965 . . . . 0.0 112.874 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.51 -54.25 35.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.413 1.085 . . . . 0.0 110.516 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -63.72 -43.57 96.14 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 117.467 -1.254 . . . . 0.0 112.268 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -53.6 -49.28 68.15 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.255 1.389 . . . . 0.0 111.78 169.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.25 2.5 pp -81.38 -21.11 39.27 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.356 -2.09 . . . . 0.0 114.982 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.35 -25.73 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.409 0.684 . . . . 0.0 112.191 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.7 t -70.27 -33.19 71.29 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.589 -1.32 . . . . 0.0 112.036 171.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.42 3.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.783 0.833 . . . . 0.0 110.628 174.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -37.54 77.35 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.713 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.34 -19.18 8.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -120.18 -25.81 5.63 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 161.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.27 -53.51 51.75 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.747 1.612 . . . . 0.0 113.264 174.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -70.69 -28.55 64.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.191 1.396 . . . . 0.0 113.19 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -91.92 -56.82 2.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.841 2.056 . . . . 0.0 115.608 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.49 -34.9 4.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -157.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 126.545 1.938 . . . . 0.0 112.697 -176.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -132.92 147.62 52.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.915 0.886 . . . . 0.0 112.919 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -122.54 12.74 10.06 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.456 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 64.4 m 47.19 -95.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.273 2.229 . . . . 0.0 114.937 -175.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -125.49 91.51 3.42 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.252 1.842 . . . . 0.0 110.14 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.59 -35.35 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.828 0.851 . . . . 0.0 110.66 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.22 -0.13 58.59 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.129 1.347 . . . . 0.0 113.7 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.86 -70.93 0.59 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.483 . . . . 0.0 108.985 171.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.77 32.08 20.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.189 1.396 . . . . 0.0 114.345 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.66 165.15 0.91 Allowed 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.966 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -38.05 -41.34 0.56 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 -34.3 57.02 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.284 -1.51 . . . . 0.0 113.545 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.2 7.98 35.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.814 2.445 . . . . 0.0 113.082 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.99 -8.97 58.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.234 1.414 . . . . 0.0 113.746 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -44.57 -31.47 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.677 1.126 . . . . 0.0 113.291 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.3 tptp -47.78 -67.36 0.28 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.272 1.429 . . . . 0.0 113.585 165.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.16 -37.33 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.531 2.333 . . . . 0.0 109.752 -173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -47.67 66.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.551 3.14 . . . . 0.0 111.085 168.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tt -74.55 -44.42 51.14 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.882 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.29 -28.39 66.73 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.242 2.217 . . . . 0.0 115.407 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.73 -31.82 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 169.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.33 -38.26 74.86 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.388 0.675 . . . . 0.0 111.812 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 pt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.568 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.5 t80 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -34.5 -43.92 0.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.794 2.038 . . . . 0.0 114.863 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -70.9 -32.69 49.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.67 -40.43 72.27 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.557 -0.714 . . . . 0.0 109.911 167.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.18 -47.47 82.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.531 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 tp -53.89 -53.17 56.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.453 1.024 . . . . 0.0 111.646 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 t -67.23 -39.18 86.18 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.628 0.728 . . . . 0.0 111.76 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -41.08 99.06 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.535 0.683 . . . . 0.0 110.808 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.62 -55.64 12.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.226 1.81 . . . . 0.0 110.994 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.18 -43.12 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 O-C-N 121.874 -0.516 . . . . 0.0 110.858 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.57 -28.2 62.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.993 -1.083 . . . . 0.0 113.367 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.45 -24.29 64.7 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.721 1.146 . . . . 0.0 111.137 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.47 -47.42 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.85 -1.156 . . . . 0.0 110.372 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.07 -45.66 76.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -122.07 -32.13 3.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.652 1.181 . . . . 0.0 113.204 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.15 -19.56 68.26 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 121.123 -0.985 . . . . 0.0 113.308 172.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.91 45.99 17.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.667 1.987 . . . . 0.0 113.683 176.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -64.88 140.95 58.92 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.325 -0.86 . . . . 0.0 110.374 160.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -137.79 130.85 30.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.018 1.327 . . . . 0.0 110.602 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -162.68 168.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 126.761 2.024 . . . . 0.0 109.796 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.4 -169.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.795 2.038 . . . . 0.0 113.49 162.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.1 -6.47 0.37 Allowed Glycine 0 N--CA 1.474 1.214 0 N-CA-C 118.132 2.013 . . . . 0.0 118.132 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -49.2 -64.66 0.74 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.93 1.865 . . . . 0.0 111.321 170.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -67.57 -35.82 79.75 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.612 1.096 . . . . 0.0 113.191 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -51.52 -55.11 20.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.486 1.114 . . . . 0.0 110.532 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -62.88 -43.86 97.67 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.007 1.323 . . . . 0.0 112.868 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -55.39 -47.95 75.09 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.62 1.555 . . . . 0.0 111.459 172.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.13 -40.1 71.62 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.163 -1.586 . . . . 0.0 112.451 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -79.2 -27.43 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.689 -0.632 . . . . 0.0 111.859 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -71.8 -34.27 69.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.71 -1.243 . . . . 0.0 112.058 173.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -46.78 -58.49 3.83 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.646 0.778 . . . . 0.0 110.358 174.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -37.46 76.1 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.977 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -56.47 -19.13 13.79 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 118.711 -0.662 . . . . 0.0 112.681 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -33.36 5.44 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 164.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.59 -51.61 64.57 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.146 1.339 . . . . 0.0 113.234 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -70.03 -33.88 72.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.055 1.342 . . . . 0.0 112.308 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -91.27 -58.64 2.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.385 1.874 . . . . 0.0 115.892 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -108.17 -45.47 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -158.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.076 2.15 . . . . 0.0 112.317 -173.184 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -142.33 143.77 32.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.437 1.095 . . . . 0.0 112.056 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.24 21.64 12.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.411 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.256 88.3 p 36.74 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.277 2.231 . . . . 0.0 114.925 -171.622 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.25 90.47 3.27 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 119.84 -1.788 . . . . 0.0 112.614 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mt -71.92 -31.13 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.206 1.402 . . . . 0.0 110.833 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.43 9.2 67.19 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 115.238 0.855 . . . . 0.0 115.238 -167.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.14 -71.43 0.38 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.172 1.389 . . . . 0.0 111.901 173.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.93 44.34 13.68 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 169.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.12 137.38 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.349 2.9 t 50.01 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 130.037 3.335 . . . . 0.0 113.586 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.59 -28.87 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.161 0.984 . . . . 0.0 112.68 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -107.19 2.8 25.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.54 1.136 . . . . 0.0 112.99 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.91 -11.82 59.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -46.32 -29.29 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.446 1.475 . . . . 0.0 114.03 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.0 tptp -48.32 -67.66 0.25 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.443 1.497 . . . . 0.0 113.864 164.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.4 ' H ' HD22 ' B' ' 20' ' ' LEU . 2.1 mm? -69.98 -36.68 75.37 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 126.959 2.104 . . . . 0.0 109.636 -172.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.65 -49.93 45.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 129.397 3.079 . . . . 0.0 110.947 166.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.46 -47.85 53.09 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.86 -33.05 70.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.357 1.863 . . . . 0.0 114.759 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 pt -84.26 -28.98 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.994 1.27 . . . . 0.0 112.625 172.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.45 -27.67 59.0 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 pt -82.05 -176.33 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.855 1.262 . . . . 0.0 113.571 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -62.47 -27.44 69.13 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -170.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -145.39 149.58 34.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.322 0.965 . . . . 0.0 113.281 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 83.78 2.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.83 1.652 . . . . 0.0 112.034 -172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.84 -43.0 72.86 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -161.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -37.08 -42.12 0.4 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.533 1.933 . . . . 0.0 114.582 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.85 -42.25 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.381 1.072 . . . . 0.0 112.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.28 -43.51 64.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.879 0.872 . . . . 0.0 109.807 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.52 -48.12 82.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.909 174.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.88 -55.12 22.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.027 1.285 . . . . 0.0 110.907 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.03 -41.4 90.98 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.06 0.845 . . . . 0.0 111.851 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.1 t -62.24 -41.52 98.49 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.699 0.761 . . . . 0.0 110.723 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.99 -56.6 9.46 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.692 1.997 . . . . 0.0 110.903 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.57 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.82 -0.55 . . . . 0.0 111.371 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.0 -30.73 65.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.747 -1.181 . . . . 0.0 113.024 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.33 -24.37 63.91 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.614 1.097 . . . . 0.0 111.394 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.38 -47.87 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.722 -1.236 . . . . 0.0 109.919 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -72.1 -43.31 64.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -119.18 -30.91 4.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.373 1.069 . . . . 0.0 113.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.15 -15.32 72.08 Favored Glycine 0 CA--C 1.54 1.62 0 O-C-N 121.25 -0.907 . . . . 0.0 114.048 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.311 72.1 p 53.01 42.49 32.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.275 2.23 . . . . 0.0 115.336 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.94 143.17 22.32 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.701 159.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -140.9 117.79 11.1 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.383 1.073 . . . . 0.0 111.384 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -162.24 169.74 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 127.317 2.247 . . . . 0.0 109.473 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -62.11 -169.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.033 1.733 . . . . 0.0 112.003 166.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.24 0.23 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 126.363 1.935 . . . . 0.0 117.869 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -47.18 -64.64 0.73 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.763 1.782 . . . . 0.0 111.646 171.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -70.83 -33.62 70.86 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.061 -1.024 . . . . 0.0 113.458 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -52.19 -54.9 25.2 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.27 1.028 . . . . 0.0 109.926 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -61.03 -43.16 99.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 124.828 1.251 . . . . 0.0 112.106 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -54.6 -51.84 64.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.256 1.389 . . . . 0.0 111.945 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pp -82.06 -22.82 36.16 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 119.79 -1.818 . . . . 0.0 114.65 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 p -80.6 -24.68 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 118.834 0.743 . . . . 0.0 111.885 169.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 t -73.15 -31.01 64.0 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.596 -1.315 . . . . 0.0 112.673 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -48.55 -57.35 6.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.573 172.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -37.91 84.88 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 118.416 0.553 . . . . 0.0 112.14 176.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.62 -25.68 18.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.163 -0.922 . . . . 0.0 112.428 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -120.28 -19.46 7.66 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.9 -48.48 36.85 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 121.142 1.792 . . . . 0.0 112.61 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.68 -31.69 68.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.437 1.095 . . . . 0.0 112.378 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -99.27 -62.38 1.24 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -100.76 -38.11 8.42 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -158.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.561 2.344 . . . . 0.0 111.789 -177.073 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -119.74 150.79 39.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.64 1.176 . . . . 0.0 113.57 -174.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.1 mmm -121.85 17.33 11.01 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.432 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 92.4 p 43.15 -95.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.302 2.641 . . . . 0.0 114.819 -176.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.49 89.77 2.83 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 120.388 1.449 . . . . 0.0 110.639 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.43 -32.7 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.059 1.344 . . . . 0.0 110.649 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.38 6.58 61.18 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.436 1.017 . . . . 0.0 113.462 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.01 -72.05 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.759 1.624 . . . . 0.0 108.147 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.91 39.0 31.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.472 1.509 . . . . 0.0 113.299 -176.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -58.84 167.46 1.56 Allowed 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 126.248 1.819 . . . . 0.0 112.363 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -38.58 -41.91 0.72 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.29 -31.67 49.06 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.345 -1.472 . . . . 0.0 113.774 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -93.4 12.04 26.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.921 2.489 . . . . 0.0 113.174 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.61 -9.4 58.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.461 1.504 . . . . 0.0 114.132 -174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.09 -31.6 0.38 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.917 1.687 . . . . 0.0 113.976 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.1 tptp -51.89 -67.93 0.21 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.275 1.83 . . . . 0.0 113.101 166.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.079 2.152 . . . . 0.0 109.782 -173.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -52.92 62.69 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 125.007 1.323 . . . . 0.0 108.986 168.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.36 -42.34 75.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -162.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.23 -37.52 69.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.027 2.931 . . . . 0.0 116.164 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 pt -77.71 -28.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 120.287 1.403 . . . . 0.0 112.123 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -76.73 -28.76 55.92 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.153 0.981 . . . . 0.0 112.683 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.5 pt . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 111.872 173.56 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.2 t80 . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -33.67 41.0 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.471 -1.393 . . . . 0.0 113.213 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.056 0.943 . . . . 0.0 111.715 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.13 -46.35 79.23 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.403 -0.811 . . . . 0.0 110.248 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.63 -47.59 85.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.217 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.68 -55.58 15.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.947 1.703 . . . . 0.0 111.919 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -67.58 -39.85 84.85 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.443 1.02 . . . . 0.0 111.963 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -60.57 -43.27 97.48 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.84 0.828 . . . . 0.0 110.911 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.52 -57.18 7.85 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.09 2.156 . . . . 0.0 110.575 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.91 -41.06 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 122.063 -0.398 . . . . 0.0 111.646 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.65 -27.58 63.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 118.908 -1.117 . . . . 0.0 113.389 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -65.84 -26.72 67.79 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.719 1.145 . . . . 0.0 112.16 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.44 -52.67 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 120.474 -1.391 . . . . 0.0 110.208 167.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.98 -42.21 81.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -166.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -121.25 -29.61 4.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 113.221 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.32 73.03 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 119.508 1.049 . . . . 0.0 113.602 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.295 69.7 p 52.74 45.29 28.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.966 2.106 . . . . 0.0 114.414 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -53.77 141.13 27.76 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 110.719 162.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -146.38 116.51 7.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.034 1.334 . . . . 0.0 110.358 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.76 171.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.0 2.12 . . . . 0.0 108.942 -174.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -62.08 -171.31 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.514 1.526 . . . . 0.0 111.692 164.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.75 -5.43 0.15 Allowed Glycine 0 N--CA 1.473 1.147 0 N-CA-C 118.256 2.062 . . . . 0.0 118.256 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -47.24 -67.29 0.29 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.324 2.062 . . . . 0.0 111.688 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -65.66 -35.84 81.93 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.898 -1.126 . . . . 0.0 112.952 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -53.21 -56.84 13.31 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 125.061 1.344 . . . . 0.0 110.282 170.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -62.29 -43.92 97.7 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.626 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.42 -55.96 13.53 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.734 1.606 . . . . 0.0 111.363 170.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.4 -24.34 39.76 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 119.92 -1.737 . . . . 0.0 114.627 -171.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.98 -26.45 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.531 171.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -69.89 -34.35 73.43 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.753 -1.217 . . . . 0.0 111.321 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.26 -54.52 13.35 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.503 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -36.22 73.96 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.41 -21.22 14.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.93 -37.95 4.35 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 169.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -62.31 -49.08 77.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.01 -34.08 66.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.878 1.271 . . . . 0.0 112.563 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -92.23 -58.02 2.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.436 1.894 . . . . 0.0 116.071 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -105.34 -43.96 4.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -159.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.683 1.193 . . . . 0.0 113.243 -170.363 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -67.1 146.71 54.01 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.94 0.896 . . . . 0.0 113.155 -165.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.5 mmt -122.99 70.67 1.02 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.535 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 48.0 m -48.44 119.33 2.96 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.201 -175.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.439 0.0 OUTLIER 32.94 72.61 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 129.693 3.197 . . . . 0.0 117.083 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -62.25 -34.37 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 126.365 1.866 . . . . 0.0 111.381 170.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -1.89 55.89 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.501 1.048 . . . . 0.0 114.925 -168.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -129.76 -67.77 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.795 1.297 . . . . 0.0 110.171 170.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.05 36.84 9.34 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.962 1.705 . . . . 0.0 113.761 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -64.58 172.74 2.49 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 112.399 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -39.41 -43.44 1.22 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 -171.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.18 -34.1 49.79 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.28 -1.512 . . . . 0.0 113.735 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.02 11.59 20.17 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.28 2.232 . . . . 0.0 112.962 174.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.67 -12.26 61.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.418 1.487 . . . . 0.0 114.183 -174.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -44.02 -27.95 0.42 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.367 1.467 . . . . 0.0 114.613 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.8 tptp -50.48 -69.78 0.1 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.113 1.365 . . . . 0.0 112.711 163.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.12 -37.16 80.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.321 1.848 . . . . 0.0 110.294 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -51.6 67.42 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.85 1.26 . . . . 0.0 108.209 170.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 52.8 tp -71.77 -40.83 69.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 116.316 -2.154 . . . . 0.0 106.539 -164.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -54.18 -40.17 67.3 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.237 2.215 . . . . 0.0 115.137 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.4 pt -78.72 -26.58 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 121.025 1.738 . . . . 0.0 112.874 173.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -75.34 -33.77 61.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.593 1.157 . . . . 0.0 112.409 -175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.37 -170.92 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.051 1.341 . . . . 0.0 113.446 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -45.8 -44.82 14.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.521 2.328 . . . . 0.0 114.851 -171.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -155.31 158.92 39.51 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.184 1.393 . . . . 0.0 111.609 173.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.37 143.05 35.95 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.956 1.303 . . . . 0.0 112.073 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -137.41 -29.93 0.86 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -164.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.99 45.57 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.223 1.374 . . . . 0.0 112.984 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.08 -38.78 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.477 1.511 . . . . 0.0 112.264 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -60.03 -41.86 93.16 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 121.177 -0.952 . . . . 0.0 110.574 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.7 -39.86 95.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.244 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -56.1 -56.79 16.57 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 120.705 1.593 . . . . 0.0 111.8 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -64.98 -38.98 92.76 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 119.099 0.863 . . . . 0.0 111.528 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -61.0 -45.63 94.04 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.481 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.08 -53.01 35.0 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.053 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.18 -41.21 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.807 -0.558 . . . . 0.0 111.714 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.2 -27.12 64.25 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 118.674 -1.21 . . . . 0.0 113.321 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.1 -28.83 69.71 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.01 -1.057 . . . . 0.0 112.501 171.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.94 -52.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 120.025 -1.672 . . . . 0.0 109.641 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.24 -41.32 85.83 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -165.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -123.66 -31.69 3.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.7 1.2 . . . . 0.0 113.324 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.7 -19.08 74.6 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 119.624 1.102 . . . . 0.0 113.258 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m 56.81 55.81 5.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.806 2.042 . . . . 0.0 113.376 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -48.54 135.87 13.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.956 0.902 . . . . 0.0 109.519 158.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -139.81 86.52 2.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.847 1.259 . . . . 0.0 110.566 -169.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.94 167.68 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.873 1.669 . . . . 0.0 110.783 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.18 -167.9 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.322 2.249 . . . . 0.0 113.237 163.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.98 -7.21 0.29 Allowed Glycine 0 N--CA 1.473 1.158 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 83.2 m -47.94 -65.12 0.62 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 120.202 2.001 . . . . 0.0 111.949 171.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -67.76 -34.63 77.18 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.03 -1.043 . . . . 0.0 113.144 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -53.69 -55.82 22.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.608 1.163 . . . . 0.0 109.87 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -60.67 -44.95 95.86 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 124.912 1.285 . . . . 0.0 111.897 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -53.34 -52.4 59.33 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.157 1.344 . . . . 0.0 111.445 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.63 -27.55 40.94 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.963 -1.711 . . . . 0.0 114.48 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.28 -24.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.539 -0.726 . . . . 0.0 111.369 173.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -73.91 -34.36 64.35 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.719 -1.238 . . . . 0.0 112.418 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.52 -53.68 17.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.752 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -36.78 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.875 0.761 . . . . 0.0 112.666 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.02 -24.16 9.06 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.615 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -118.58 -25.79 6.35 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -67.26 -46.1 74.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.51 1.959 . . . . 0.0 112.695 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -73.49 -34.18 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.131 1.372 . . . . 0.0 112.331 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -94.25 -61.21 1.56 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -106.17 -41.22 5.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -157.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.512 1.525 . . . . 0.0 113.238 -171.744 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 111.095 0.035 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -137.65 143.08 41.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mmm -123.13 21.75 9.63 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.457 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 84.5 p 38.44 -89.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.654 2.782 . . . . 0.0 116.476 -173.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 92.38 3.35 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.818 1.645 . . . . 0.0 110.148 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.87 -35.57 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 0.0 111.141 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 1.75 55.86 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 125.263 1.411 . . . . 0.0 114.413 -175.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -137.51 -59.23 0.68 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.483 1.142 . . . . 0.0 110.028 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.81 42.4 23.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.413 1.485 . . . . 0.0 114.522 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -95.07 102.95 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.086 0.955 . . . . 0.0 113.506 -163.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.32 3.7 t 53.03 -69.15 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 129.204 3.001 . . . . 0.0 115.411 174.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.43 -24.2 64.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.58 1.152 . . . . 0.0 112.595 167.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -103.87 3.71 34.07 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.313 1.445 . . . . 0.0 112.347 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.77 -11.18 60.06 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.11 -30.58 0.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 120.261 1.391 . . . . 0.0 114.289 -173.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 4.3 tptp -49.6 -68.37 0.18 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.499 1.52 . . . . 0.0 113.401 166.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.9 mm? -68.18 -37.26 80.75 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 127.279 2.232 . . . . 0.0 109.561 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -49.31 59.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 129.323 3.049 . . . . 0.0 111.075 167.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tt -72.0 -48.37 45.26 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -55.55 -38.94 69.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.305 1.842 . . . . 0.0 114.422 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.26 -28.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.113 1.324 . . . . 0.0 112.562 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.99 -27.58 57.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 pt . . . . . 0 CA--C 1.548 0.874 0 C-N-CA 124.848 1.259 . . . . 0.0 113.233 173.521 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.413 ' CD2' HD12 ' A' ' 34' ' ' LEU . 27.9 t80 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.15 -41.19 0.57 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.472 2.309 . . . . 0.0 115.833 -176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.15 -28.73 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 111.929 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.2 -43.36 99.0 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.549 -1.344 . . . . 0.0 110.313 171.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 30' ' ' TYR . 4.3 mp -57.6 -50.34 73.45 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.146 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -46.18 -53.96 9.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.891 1.276 . . . . 0.0 111.638 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -67.71 -40.75 84.25 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 119.725 1.148 . . . . 0.0 112.656 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -39.12 81.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.571 1.176 . . . . 0.0 110.788 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -76.16 -51.06 12.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.02 2.128 . . . . 0.0 111.248 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -56.46 -41.61 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.269 0.941 . . . . 0.0 110.665 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -73.72 -27.66 61.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.225 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -65.59 -24.99 67.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.875 1.216 . . . . 0.0 111.475 172.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.18 -48.89 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.539 172.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -66.07 -45.92 79.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -123.62 -29.29 3.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.773 1.229 . . . . 0.0 113.101 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.92 -17.22 71.31 Favored Glycine 0 CA--C 1.54 1.652 0 O-C-N 121.177 -0.952 . . . . 0.0 113.606 168.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.315 75.6 p 54.88 41.13 32.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.14 2.176 . . . . 0.0 115.132 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.05 140.18 56.06 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.63 -0.669 . . . . 0.0 110.254 159.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -139.5 125.49 19.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 -174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.96 169.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.425 2.29 . . . . 0.0 109.303 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.11 -159.83 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.422 1.489 . . . . 0.0 112.269 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.77 -6.67 1.83 Allowed Glycine 0 N--CA 1.469 0.887 0 N-CA-C 117.424 1.73 . . . . 0.0 117.424 -171.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -49.49 -60.45 2.84 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.652 1.726 . . . . 0.0 111.11 170.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -69.56 -37.11 76.89 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.732 1.151 . . . . 0.0 113.154 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -49.89 -54.83 17.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.91 0.884 . . . . 0.0 110.244 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -61.29 -44.38 97.31 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.449 1.5 . . . . 0.0 112.824 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -51.81 -53.65 37.71 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.931 1.696 . . . . 0.0 111.525 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.5 -23.77 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 119.84 -1.787 . . . . 0.0 113.609 -172.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.57 -25.6 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 119.277 0.944 . . . . 0.0 112.802 170.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 t -70.95 -34.36 71.38 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.225 -1.547 . . . . 0.0 111.638 172.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.79 -57.02 4.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.387 1.075 . . . . 0.0 110.4 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 65' ' ' ARG 0.283 0.0 OUTLIER -76.06 -29.12 57.89 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.992 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.92 -23.27 52.69 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.673 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' HG3' HH11 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -108.0 -41.22 5.01 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 115.437 1.644 . . . . 0.0 115.437 169.095 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.0 -49.67 76.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 33.8 mmm-85 -68.71 -39.46 80.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 111.868 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -97.26 -57.1 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.104 2.161 . . . . 0.0 115.599 -168.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.93 -45.21 5.77 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 124.931 1.292 . . . . 0.0 113.229 -171.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 120.374 0.131 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -124.03 145.96 48.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 111.265 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 15.1 mmt -123.44 74.32 1.24 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.614 0.721 . . . . 0.0 109.298 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.546 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 14.0 m -47.61 118.79 2.4 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.067 -175.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.46 0.0 OUTLIER 32.47 72.11 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 129.844 3.258 . . . . 0.0 117.656 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.98 -32.55 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.899 2.079 . . . . 0.0 112.816 172.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.7 4.76 51.93 Favored Glycine 0 CA--C 1.545 1.946 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -168.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.19 -70.38 0.3 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.833 1.317 . . . . 0.0 112.496 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.21 43.75 10.62 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -123.77 135.19 53.67 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.35 3.2 t 49.15 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.859 3.263 . . . . 0.0 113.725 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -64.02 -30.33 71.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.365 1.066 . . . . 0.0 112.577 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -105.3 2.51 28.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.844 1.258 . . . . 0.0 112.977 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -64.22 -14.14 53.6 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -45.4 -28.59 0.9 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.711 1.596 . . . . 0.0 114.662 -174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.1 tptp -51.73 -64.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.315 1.446 . . . . 0.0 113.401 166.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -69.78 -34.84 74.31 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.844 2.058 . . . . 0.0 110.177 -174.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -45.32 81.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.31 3.044 . . . . 0.0 111.107 169.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.14 -44.49 60.07 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.321 -1.352 . . . . 0.0 107.836 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -59.86 -26.51 65.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.121 1.768 . . . . 0.0 115.215 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 pt -88.3 -28.77 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.732 1.151 . . . . 0.0 112.961 168.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.7 tp -69.25 -28.84 66.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.254 1.022 . . . . 0.0 112.465 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -86.13 -144.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.98 1.712 . . . . 0.0 112.149 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.67 18.58 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 128.51 2.724 . . . . 0.0 115.636 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.7 m80 68.35 152.81 0.09 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 129.259 3.024 . . . . 0.0 116.881 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . 0.273 12.5 pt-20 50.1 21.07 0.69 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 163.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.92 -31.85 71.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.396 -1.44 . . . . 0.0 114.754 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.51 -35.04 12.33 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 174.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.39 -32.22 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.795 0.838 . . . . 0.0 111.792 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.23 -43.86 92.33 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 120.899 -1.126 . . . . 0.0 110.433 173.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.03 -51.72 68.49 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 116.695 -1.621 . . . . 0.0 110.481 168.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.45 -53.74 10.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.489 1.495 . . . . 0.0 111.911 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.2 m -63.92 -50.04 70.25 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.163 0.892 . . . . 0.0 110.966 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -60.6 -34.17 73.83 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 121.106 -0.996 . . . . 0.0 111.093 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.54 -51.53 16.66 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 127.258 2.223 . . . . 0.0 111.814 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.64 -38.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 119.252 0.933 . . . . 0.0 111.268 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -73.15 -27.69 61.81 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.52 -33.4 73.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.154 1.343 . . . . 0.0 111.399 170.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.37 -51.9 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.487 -1.383 . . . . 0.0 109.986 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -167.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -118.3 -28.14 5.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.813 1.245 . . . . 0.0 113.098 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -16.13 75.12 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 119.773 1.169 . . . . 0.0 113.131 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.276 72.4 p 52.87 57.57 6.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.089 2.156 . . . . 0.0 113.795 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -49.22 142.99 6.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.548 1.139 . . . . 0.0 111.502 166.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -141.68 84.41 1.9 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.439 1.496 . . . . 0.0 110.551 -172.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.3 167.5 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.491 1.916 . . . . 0.0 109.935 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.54 -169.97 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.121 1.769 . . . . 0.0 112.037 167.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.7 -7.2 0.25 Allowed Glycine 0 N--CA 1.471 1.02 0 C-N-CA 126.364 1.935 . . . . 0.0 117.885 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 96.1 m -47.87 -64.04 0.9 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.285 2.043 . . . . 0.0 111.458 170.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -68.39 -32.51 72.63 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.819 -1.176 . . . . 0.0 113.048 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -56.93 -53.29 59.66 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.491 1.117 . . . . 0.0 110.598 170.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -61.97 -42.31 98.98 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 125.309 1.444 . . . . 0.0 112.388 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -59.11 -44.23 91.97 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.685 1.584 . . . . 0.0 111.412 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.35 -41.57 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.313 -1.492 . . . . 0.0 112.874 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 p -82.75 -26.53 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.634 0.774 . . . . 0.0 112.082 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.2 t -71.19 -35.01 71.43 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.007 -1.058 . . . . 0.0 112.326 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.69 -56.72 9.11 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.77 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.76 78.66 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 119.196 -0.431 . . . . 0.0 112.061 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.22 -24.37 18.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.453 0.701 . . . . 0.0 112.451 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 170.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.72 -48.85 70.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -73.45 -34.56 65.47 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.057 1.343 . . . . 0.0 112.224 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.61 -62.4 1.44 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.99 -40.39 8.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -160.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.289 1.435 . . . . 0.0 113.448 -173.153 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 120.54 0.209 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 47.7 ttp180 -139.27 143.77 38.08 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.655 1.582 . . . . 0.0 110.466 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -124.49 67.66 1.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.57 0.7 . . . . 0.0 110.562 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 72.9 m -73.66 106.31 5.36 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.743 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.85 143.35 50.88 Favored 'General case' 0 CA--C 1.534 0.329 1 C-N-CA 135.653 5.581 . . . . 0.0 106.507 -4.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.39 -35.68 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.747 -0.596 . . . . 0.0 112.083 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 1.94 59.73 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 124.819 1.2 . . . . 0.0 114.195 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -135.11 -60.27 0.77 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.688 1.244 . . . . 0.0 109.836 168.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.68 41.29 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.364 1.466 . . . . 0.0 114.597 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.54 99.86 12.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -161.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.33 6.0 t 53.29 -69.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 129.043 2.937 . . . . 0.0 115.897 171.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.37 -26.99 68.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.227 1.376 . . . . 0.0 112.172 163.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -100.0 5.17 45.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.738 1.615 . . . . 0.0 112.342 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.03 -9.58 47.0 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -45.51 -29.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 120.621 1.555 . . . . 0.0 114.263 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.6 tptt -47.99 -71.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.44 1.896 . . . . 0.0 113.149 164.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' H ' HD21 ' A' ' 20' ' ' LEU . 2.0 mm? -68.05 -34.21 76.02 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.7 2.4 . . . . 0.0 110.052 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -48.66 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 129.426 3.09 . . . . 0.0 111.099 168.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.87 -39.82 66.14 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 116.542 -2.063 . . . . 0.0 107.772 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.35 -25.24 67.95 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -88.65 -27.16 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.131 1.332 . . . . 0.0 112.765 167.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.1 -29.92 64.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.209 1.004 . . . . 0.0 112.706 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 pt . . . . . 0 N--CA 1.477 0.915 0 C-N-CA 124.95 1.3 . . . . 0.0 113.835 175.713 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.0 t80 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 116.316 1.969 . . . . 0.0 116.316 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.0 53.36 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.143 1.338 . . . . 0.0 112.989 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.05 -33.02 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.277 -0.889 . . . . 0.0 113.343 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.1 -44.17 78.8 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.064 0.393 . . . . 0.0 110.747 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.98 -45.98 91.25 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.965 171.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.2 -54.66 32.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.583 1.992 . . . . 0.0 110.576 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -66.58 -38.62 87.45 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 118.787 0.721 . . . . 0.0 112.359 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -61.6 -43.4 98.92 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.381 1.086 . . . . 0.0 110.918 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.07 -54.9 14.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.513 2.325 . . . . 0.0 110.741 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.04 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.7 -28.0 63.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 119.112 -1.035 . . . . 0.0 113.617 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.6 -27.75 67.18 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.438 1.017 . . . . 0.0 110.931 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.57 -44.1 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.602 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.55 -49.01 65.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.689 1.196 . . . . 0.0 113.606 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -122.41 -31.83 3.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 113.233 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -18.01 62.67 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 170.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.8 m 56.56 47.11 19.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.708 2.003 . . . . 0.0 112.946 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.64 157.85 8.69 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.508 1.123 . . . . 0.0 113.35 170.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.19 110.08 5.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.042 0.937 . . . . 0.0 111.817 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.78 165.08 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.416 1.887 . . . . 0.0 110.141 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.62 -171.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.448 2.299 . . . . 0.0 113.807 164.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.72 -6.48 0.51 Allowed Glycine 0 N--CA 1.474 1.182 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -48.38 -62.19 1.62 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.006 1.903 . . . . 0.0 111.642 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -69.11 -36.22 77.3 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.454 1.024 . . . . 0.0 113.173 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -51.83 -54.46 28.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.211 1.004 . . . . 0.0 110.571 170.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -63.28 -44.02 96.25 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.331 1.452 . . . . 0.0 112.564 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -53.41 -48.41 68.72 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.469 1.486 . . . . 0.0 111.289 169.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.21 -37.7 72.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.913 -1.742 . . . . 0.0 112.803 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -81.5 -27.38 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.232 0.613 . . . . 0.0 112.266 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -71.83 -33.26 68.35 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.616 -1.303 . . . . 0.0 112.338 173.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.59 -57.22 5.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 0.0 109.64 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -37.45 77.36 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.28 -21.13 13.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.534 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' HG3' HH11 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.61 -35.13 5.31 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 168.062 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -63.58 -51.32 65.86 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.441 1.019 . . . . 0.0 113.478 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -71.22 -34.2 70.61 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.565 1.146 . . . . 0.0 112.517 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -87.62 -58.67 2.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.458 1.903 . . . . 0.0 115.7 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -107.53 -48.44 3.43 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -160.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.561 1.945 . . . . 0.0 112.533 -171.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 10.1 ttp180 -128.05 141.99 51.35 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.246 1.018 . . . . 0.0 112.646 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 68.6 mmm -124.75 66.05 1.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.428 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 30.1 m -51.17 114.75 1.28 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.973 0.892 . . . . 0.0 112.318 -172.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.436 ' O ' ' HE2' ' B' ' 56' ' ' LYS 0.303 3.3 mt 52.92 71.16 0.51 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 129.128 2.971 . . . . 0.0 114.267 177.311 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.62 -36.08 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 110.907 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.69 2.86 32.52 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 125.113 1.339 . . . . 0.0 115.452 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -140.97 -45.09 0.39 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.496 1.648 . . . . 0.0 112.154 166.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 45.75 51.35 10.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.2 2.2 . . . . 0.0 115.361 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -111.18 113.53 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -159.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.5 t 51.56 -72.09 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 129.238 3.015 . . . . 0.0 114.542 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.47 -29.12 69.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.803 1.241 . . . . 0.0 112.683 168.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -105.35 7.6 33.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.914 1.286 . . . . 0.0 112.582 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.8 -10.16 59.36 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -43.74 -31.55 0.83 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.473 1.509 . . . . 0.0 114.248 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' B' ' 7' ' ' SER . 1.2 tptt -49.76 -67.08 0.29 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.797 1.639 . . . . 0.0 112.921 166.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.71 -36.56 73.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 127.275 2.23 . . . . 0.0 109.941 -173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -52.96 60.78 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.834 1.254 . . . . 0.0 108.239 168.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.69 -46.27 69.48 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 -162.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -53.05 -43.66 66.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.891 2.476 . . . . 0.0 115.682 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -76.4 -26.86 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.935 1.698 . . . . 0.0 112.256 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.05 -30.51 44.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.885 0.874 . . . . 0.0 113.0 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 pt -79.3 -169.25 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.842 1.257 . . . . 0.0 113.441 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -52.71 -37.81 59.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.26 2.224 . . . . 0.0 114.915 -172.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.99 150.38 29.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.514 1.126 . . . . 0.0 112.987 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.03 80.3 0.93 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.314 1.846 . . . . 0.0 112.041 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -71.94 -27.76 63.01 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -160.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.62 48.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 120.214 1.37 . . . . 0.0 113.211 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 124.053 0.941 . . . . 0.0 111.99 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.16 -43.65 87.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.35 -0.844 . . . . 0.0 110.09 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.81 -51.04 71.7 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.04 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -49.03 -53.53 19.73 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 121.027 1.74 . . . . 0.0 112.047 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.4 t -68.6 -41.91 78.89 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.407 0.622 . . . . 0.0 111.703 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -40.68 94.04 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.057 0.932 . . . . 0.0 111.551 177.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.54 -55.38 7.94 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.931 2.492 . . . . 0.0 110.76 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.18 -41.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.623 -0.673 . . . . 0.0 111.31 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.09 -28.58 63.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.522 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.73 -24.96 64.52 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.77 1.168 . . . . 0.0 110.918 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.66 -44.31 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 120.767 -1.208 . . . . 0.0 110.548 172.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.78 -49.39 66.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.3 t -120.21 -30.64 4.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.708 1.203 . . . . 0.0 112.939 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -18.42 70.95 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 113.633 169.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.7 p 53.16 42.3 32.15 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.275 2.23 . . . . 0.0 115.125 177.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -57.81 146.03 33.0 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.748 162.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -141.94 127.03 18.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.089 0.956 . . . . 0.0 112.161 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -163.43 169.73 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 127.537 2.335 . . . . 0.0 108.99 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.23 -171.01 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.513 1.925 . . . . 0.0 113.65 162.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.09 -6.65 0.39 Allowed Glycine 0 N--CA 1.476 1.304 0 N-CA-C 117.798 1.879 . . . . 0.0 117.798 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.9 m -49.53 -64.7 0.73 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.762 1.781 . . . . 0.0 110.435 169.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -65.56 -41.24 93.19 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.234 1.379 . . . . 0.0 112.381 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -46.68 -54.88 8.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.451 1.101 . . . . 0.0 111.068 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -61.3 -42.06 98.03 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 116.84 -1.552 . . . . 0.0 112.894 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' B' ' 8' ' ' LEU . 1.1 mptm? -54.15 -52.46 61.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 121.129 1.786 . . . . 0.0 111.957 169.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.58 -35.91 75.8 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 119.913 -1.742 . . . . 0.0 112.222 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -82.67 -26.43 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 t -68.93 -33.26 73.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.494 -1.379 . . . . 0.0 111.771 171.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.45 -54.75 13.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.359 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -38.8 85.23 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.521 0.601 . . . . 0.0 111.892 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -56.65 -19.67 17.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.552 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -113.92 -29.38 7.06 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -72.67 -45.31 59.56 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.598 1.999 . . . . 0.0 113.247 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -71.63 -32.7 68.25 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.909 1.283 . . . . 0.0 112.126 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.53 -62.94 1.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.898 2.185 . . . . 0.0 116.898 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -95.14 -42.42 8.59 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -160.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.669 2.388 . . . . 0.0 111.667 -175.556 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -68.09 149.72 49.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.353 1.461 . . . . 0.0 112.175 -172.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.78 13.45 11.53 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.5 m 48.37 -96.0 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.796 2.038 . . . . 0.0 115.159 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -131.21 95.92 3.9 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 121.169 1.804 . . . . 0.0 110.463 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.99 -39.06 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.26 1.024 . . . . 0.0 110.778 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.31 33.04 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 125.818 1.675 . . . . 0.0 114.986 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.28 -59.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.11 1.364 . . . . 0.0 110.576 166.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.55 35.54 21.14 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.406 1.482 . . . . 0.0 114.063 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -57.08 164.46 1.65 Allowed 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.405 1.482 . . . . 0.0 111.479 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -33.74 -43.44 0.13 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 -175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.1 -29.85 49.22 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.108 -1.62 . . . . 0.0 113.883 175.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -94.24 6.15 49.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.861 2.865 . . . . 0.0 112.809 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.27 -10.36 59.68 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.333 1.453 . . . . 0.0 114.069 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -44.69 -28.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.999 1.32 . . . . 0.0 114.125 -174.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -49.19 -70.58 0.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.143 1.777 . . . . 0.0 113.427 163.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.406 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -66.68 -37.28 84.42 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.644 2.378 . . . . 0.0 109.754 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.03 -47.76 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 129.78 3.232 . . . . 0.0 111.424 168.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.3 -41.81 56.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.981 -1.488 . . . . 0.0 107.89 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -58.16 -34.46 70.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.356 1.862 . . . . 0.0 114.679 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -84.17 -28.13 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.175 0.898 . . . . 0.0 113.316 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -71.78 -33.2 68.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.207 1.003 . . . . 0.0 112.562 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 124.658 1.183 . . . . 0.0 113.649 176.787 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.3 t80 . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.78 -43.68 1.47 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.506 1.522 . . . . 0.0 113.714 167.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.62 -39.42 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 123.681 0.792 . . . . 0.0 111.915 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.66 -40.95 76.4 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.276 172.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.03 -54.23 49.45 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.667 171.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 tp -49.06 -55.51 11.88 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.318 1.047 . . . . 0.0 111.583 -176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -66.48 -43.16 86.19 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.815 0.817 . . . . 0.0 112.107 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 t -60.16 -41.53 93.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.75 0.786 . . . . 0.0 110.594 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -74.4 -49.83 20.97 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 125.771 1.628 . . . . 0.0 111.378 -171.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -57.59 -42.27 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.543 -0.723 . . . . 0.0 110.843 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.64 -27.1 62.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.273 -1.371 . . . . 0.0 113.31 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -69.82 -23.24 63.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.864 -1.147 . . . . 0.0 111.589 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.09 -46.85 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 120.303 -1.498 . . . . 0.0 110.35 171.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.51 -49.72 67.93 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.333 1.053 . . . . 0.0 113.502 -173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -115.51 -32.64 5.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.516 1.126 . . . . 0.0 112.771 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.9 -15.15 73.76 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 114.487 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 78.2 p 53.21 38.28 27.19 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.004 2.122 . . . . 0.0 115.163 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -75.38 0.06 18.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -49.28 131.36 20.02 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 127.881 2.473 . . . . 0.0 113.884 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 m -130.17 -158.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.478 1.911 . . . . 0.0 111.305 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -57.82 -176.66 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.583 1.953 . . . . 0.0 113.805 164.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.55 -10.76 1.55 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -46.72 -61.84 1.66 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.723 1.762 . . . . 0.0 110.983 166.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -70.41 -36.59 74.12 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.989 -1.069 . . . . 0.0 112.822 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -50.4 -54.69 20.01 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.039 0.936 . . . . 0.0 110.245 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -61.98 -44.53 96.54 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 125.235 1.414 . . . . 0.0 112.808 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -52.6 -52.19 56.38 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.78 1.627 . . . . 0.0 111.766 171.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.28 -22.43 38.64 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.914 -1.741 . . . . 0.0 114.047 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -83.18 -27.51 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 119.22 0.918 . . . . 0.0 111.877 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -72.01 -30.35 65.13 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.405 -1.434 . . . . 0.0 112.194 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.91 -56.94 4.8 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.951 0.501 . . . . 0.0 110.611 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -36.04 71.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.997 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.63 -24.39 21.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.44 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 -40.44 5.3 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 171.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.96 -52.57 55.53 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.05 -34.82 73.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 111.752 -174.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.46 -62.99 1.35 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.207 1.803 . . . . 0.0 115.76 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -103.84 -39.56 6.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -158.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.502 1.921 . . . . 0.0 112.484 -177.706 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -147.23 157.37 43.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.362 1.065 . . . . 0.0 112.52 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 20.1 mmt -127.07 84.13 2.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.971 0.908 . . . . 0.0 110.472 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -34.12 -39.01 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 -177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 140.82 15.4 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 122.142 2.246 . . . . 0.0 113.706 141.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -103.13 -43.04 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.251 1.42 . . . . 0.0 112.294 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.66 4.28 36.97 Favored Glycine 0 CA--C 1.545 1.966 0 C-N-CA 124.16 0.886 . . . . 0.0 114.751 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.09 -64.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.663 1.232 . . . . 0.0 111.272 169.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.94 33.19 14.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 114.307 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.45 168.97 3.21 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.447 1.499 . . . . 0.0 111.588 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -37.11 -43.06 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -173.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.52 -31.95 53.78 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.274 -1.517 . . . . 0.0 114.008 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -93.17 6.99 46.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.364 . . . . 0.0 113.287 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.38 -10.09 52.71 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.724 1.61 . . . . 0.0 114.388 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -46.31 -27.98 1.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.28 -69.1 0.13 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.564 1.945 . . . . 0.0 114.167 162.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.36 -36.19 76.6 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 127.688 2.395 . . . . 0.0 109.809 -173.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -50.43 49.92 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.076 2.95 . . . . 0.0 111.372 167.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -73.85 -41.96 61.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 117.339 -1.744 . . . . 0.0 108.451 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.16 -23.08 67.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.322 1.849 . . . . 0.0 114.966 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.3 pt -92.13 -27.8 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 119.216 0.916 . . . . 0.0 113.238 167.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.47 -38.12 83.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.799 0.84 . . . . 0.0 111.481 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.2 -178.01 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.748 1.219 . . . . 0.0 113.862 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -63.27 -32.94 74.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 143.84 44.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.406 1.482 . . . . 0.0 113.419 -175.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -69.96 80.79 0.48 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.664 1.986 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.8 -27.38 61.1 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -158.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.76 50.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.461 1.028 . . . . 0.0 113.131 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.49 -39.33 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.985 1.314 . . . . 0.0 112.2 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -60.6 -41.5 94.87 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 121.344 -0.848 . . . . 0.0 110.846 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.75 -36.88 85.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.08 -1.438 . . . . 0.0 111.836 171.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.68 -56.19 25.15 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 120.643 1.565 . . . . 0.0 111.044 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -63.62 -37.21 86.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.67 1.123 . . . . 0.0 112.027 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -62.66 -45.79 91.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.672 0.748 . . . . 0.0 110.442 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.75 -50.63 48.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.892 1.677 . . . . 0.0 111.657 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -56.96 -41.8 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.473 -0.767 . . . . 0.0 111.308 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.16 -26.13 62.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.421 -1.312 . . . . 0.0 113.676 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.38 -31.49 71.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.372 0.987 . . . . 0.0 111.898 170.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.55 -54.02 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.629 -1.294 . . . . 0.0 110.631 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.89 -39.42 94.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.747 1.219 . . . . 0.0 113.495 -166.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.9 t -126.87 -30.56 2.73 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.636 1.174 . . . . 0.0 113.624 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 -19.44 74.85 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.418 1.008 . . . . 0.0 113.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.267 73.6 p 49.48 49.09 20.45 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.502 1.921 . . . . 0.0 113.376 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -33.88 -61.16 0.36 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.962 2.505 . . . . 0.0 114.478 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 53.56 78.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.668 2.787 . . . . 0.0 113.318 168.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . 0.412 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -140.09 158.67 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.337 1.855 . . . . 0.0 110.513 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -74.96 64.17 1.29 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.103 2.561 . . . . 0.0 115.299 -165.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.39 -10.99 64.68 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.798 2.618 . . . . 0.0 115.038 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -59.6 -60.79 3.28 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.609 1.705 . . . . 0.0 109.963 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' THR . . . . . 0.412 ' H ' HG13 ' B' ' 49' ' ' VAL . 4.7 t -66.64 -32.9 74.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -55.81 -54.27 46.57 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.666 1.186 . . . . 0.0 110.239 170.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -60.99 -42.08 97.72 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.375 1.47 . . . . 0.0 112.44 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -58.43 -43.35 88.68 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 120.638 1.563 . . . . 0.0 112.125 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.68 -43.89 71.59 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.076 -1.64 . . . . 0.0 112.712 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -79.19 -26.51 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 122.771 0.429 . . . . 0.0 111.742 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -69.96 -37.76 75.91 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.729 -1.232 . . . . 0.0 111.758 172.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.84 -57.53 5.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.439 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.76 99.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.247 0.619 . . . . 0.0 112.509 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.35 -24.55 60.14 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.607 1.163 . . . . 0.0 112.573 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -115.97 -21.92 9.27 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -58.8 -53.76 54.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.614 1.552 . . . . 0.0 111.99 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -81.07 -39.8 25.16 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.529 1.157 . . . . 0.0 112.777 -171.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -74.42 -60.85 2.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.499 -2.137 . . . . 0.0 115.529 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -108.8 -44.96 3.91 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -158.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.945 2.098 . . . . 0.0 112.032 -174.239 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.7 mtm . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.558 0.218 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 19.1 ttp180 -140.67 139.7 34.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.447 1.099 . . . . 0.0 111.118 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.4 mmt -126.48 71.75 1.3 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.98 0.895 . . . . 0.0 108.827 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 27.9 m -54.93 114.68 1.83 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.091 -172.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.294 4.1 mt 54.52 69.15 0.75 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.289 3.036 . . . . 0.0 114.722 175.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.98 -29.25 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.424 1.489 . . . . 0.0 111.28 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.61 7.78 61.41 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 125.199 1.381 . . . . 0.0 114.206 -171.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -138.15 -64.22 0.54 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.572 1.549 . . . . 0.0 110.887 166.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.17 35.08 18.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.461 1.504 . . . . 0.0 114.158 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -60.8 168.03 2.5 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.681 1.592 . . . . 0.0 111.99 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -38.68 -41.49 0.71 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -172.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.31 -33.27 49.4 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.32 -1.487 . . . . 0.0 113.596 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.71 9.51 29.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.955 2.502 . . . . 0.0 113.04 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -73.23 -9.93 59.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.422 1.489 . . . . 0.0 114.631 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.71 -31.29 0.45 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.885 1.674 . . . . 0.0 114.11 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tptt -48.12 -70.53 0.09 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.458 1.903 . . . . 0.0 113.074 164.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' H ' HD21 ' A' ' 20' ' ' LEU . 2.0 mm? -69.1 -35.14 76.13 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 127.373 2.269 . . . . 0.0 109.782 -173.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -52.57 63.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.034 1.334 . . . . 0.0 108.524 169.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.67 -41.72 75.12 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 116.483 -2.087 . . . . 0.0 106.244 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -57.92 -36.64 72.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.274 2.23 . . . . 0.0 115.471 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.4 pt -80.32 -26.33 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.718 1.599 . . . . 0.0 112.656 171.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.32 -31.5 60.63 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.412 1.085 . . . . 0.0 112.498 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.258 1.423 . . . . 0.0 113.397 174.958 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.71 -37.3 63.15 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.599 -1.313 . . . . 0.0 112.573 174.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -69.82 -38.03 74.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 O-C-N 121.371 -0.831 . . . . 0.0 111.931 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -55.22 -43.52 74.59 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.145 -0.972 . . . . 0.0 110.394 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -54.95 40.53 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 116.295 -1.812 . . . . 0.0 110.558 170.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 tp -46.25 -52.95 11.56 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.611 1.55 . . . . 0.0 111.67 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -68.95 -44.22 73.42 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.715 0.769 . . . . 0.0 112.442 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 t -58.27 -41.76 85.03 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.483 1.135 . . . . 0.0 111.146 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -75.15 -51.86 12.38 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.658 1.983 . . . . 0.0 110.186 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.87 -42.34 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.324 -0.86 . . . . 0.0 111.395 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.45 -27.06 63.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.973 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.45 -25.63 65.09 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.728 1.149 . . . . 0.0 111.726 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.89 -48.71 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.658 -1.276 . . . . 0.0 110.026 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.54 -45.63 65.13 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -116.08 -31.68 5.62 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.402 1.081 . . . . 0.0 112.986 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.68 -16.34 71.94 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 113.452 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m 59.37 37.09 23.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.522 1.929 . . . . 0.0 113.929 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -66.88 138.22 57.15 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.097 -1.002 . . . . 0.0 110.191 161.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -164.16 130.55 3.08 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.76 1.224 . . . . 0.0 109.95 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.6 m -136.71 -157.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.551 1.54 . . . . 0.0 109.853 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -49.91 178.72 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.044 1.338 . . . . 0.0 114.213 156.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.31 -6.55 0.99 Allowed Glycine 0 N--CA 1.474 1.2 0 O-C-N 120.17 -1.581 . . . . 0.0 116.888 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 m -48.35 -61.69 1.87 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.52 2.16 . . . . 0.0 111.597 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -66.72 -39.47 88.01 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.47 1.032 . . . . 0.0 112.738 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -51.4 -55.12 20.34 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.657 1.183 . . . . 0.0 110.802 170.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -61.66 -44.08 97.65 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 125.435 1.494 . . . . 0.0 112.386 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -51.21 -52.29 45.86 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.781 1.628 . . . . 0.0 112.374 169.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.33 -26.39 38.79 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 119.79 -1.819 . . . . 0.0 113.989 -173.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.01 -26.98 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.938 0.79 . . . . 0.0 111.915 171.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 t -72.83 -32.62 65.61 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.301 -1.5 . . . . 0.0 112.604 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.78 -58.7 3.28 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.529 0.732 . . . . 0.0 109.095 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -38.47 81.5 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.009 176.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.51 -18.78 12.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -120.88 -21.67 6.5 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 160.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.25 -50.75 51.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 121.686 2.039 . . . . 0.0 112.879 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -67.23 -32.79 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.907 1.283 . . . . 0.0 112.103 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -90.62 -60.16 1.99 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.539 1.936 . . . . 0.0 115.905 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -113.74 -41.49 3.58 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -159.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.142 2.177 . . . . 0.0 112.114 -176.294 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -126.55 151.88 47.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.734 2.014 . . . . 0.0 110.824 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.2 mmt -121.32 10.1 10.51 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.469 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 55.4 m 50.23 -90.4 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.012 2.125 . . . . 0.0 115.095 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.31 94.24 3.63 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 121.032 1.742 . . . . 0.0 110.283 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mt -76.66 -41.76 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.729 0.812 . . . . 0.0 110.124 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.51 -0.15 29.31 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.478 1.513 . . . . 0.0 113.973 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -133.0 -75.8 0.49 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.172 1.389 . . . . 0.0 109.58 171.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 37.33 26.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.22 166.33 19.68 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.011 -1.056 . . . . 0.0 112.709 168.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -18.32 -53.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 119.576 3.176 . . . . 0.0 119.576 -161.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -76.24 -26.91 56.5 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 120.926 1.694 . . . . 0.0 113.555 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -103.23 -5.11 23.46 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.957 2.903 . . . . 0.0 112.394 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.88 -10.93 4.5 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -44.15 -30.57 0.79 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.906 1.684 . . . . 0.0 114.415 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -48.59 -67.38 0.27 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.011 1.724 . . . . 0.0 112.746 164.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.01 -36.79 75.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.345 2.258 . . . . 0.0 109.78 -173.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -50.59 68.13 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.036 1.334 . . . . 0.0 108.288 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -69.97 -44.79 68.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -165.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -56.54 -37.96 71.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.246 2.619 . . . . 0.0 115.581 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.83 -27.64 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.591 1.087 . . . . 0.0 112.416 172.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -78.31 -30.01 48.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.198 0.999 . . . . 0.0 112.905 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.2 pt -79.3 -173.7 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.39 1.476 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -61.84 -28.52 69.55 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -172.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -145.79 144.93 30.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.993 0.917 . . . . 0.0 113.014 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.28 82.44 0.75 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.5 1.92 . . . . 0.0 111.867 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -72.15 -42.1 66.35 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -158.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.96 -39.79 1.25 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.339 1.856 . . . . 0.0 116.003 -173.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.5 -35.73 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.523 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -57.88 -41.35 82.34 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.262 -0.899 . . . . 0.0 110.77 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.21 -43.13 95.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.407 171.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.75 -56.83 13.98 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.379 1.445 . . . . 0.0 110.638 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -64.4 -37.74 88.58 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 118.555 0.616 . . . . 0.0 111.846 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.8 t -60.9 -45.74 93.42 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.368 1.08 . . . . 0.0 111.116 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.38 -54.56 23.01 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.702 2.001 . . . . 0.0 111.008 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -42.21 79.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.58 -25.43 60.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -65.61 -30.27 70.96 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.379 0.99 . . . . 0.0 110.534 172.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.29 -44.85 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.297 -0.877 . . . . 0.0 110.879 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.734 1.213 . . . . 0.0 113.614 -174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.2 t -124.04 -28.0 3.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.54 1.136 . . . . 0.0 113.523 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -12.36 59.03 Favored Glycine 0 CA--C 1.541 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 114.06 166.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.285 46.5 p 51.53 45.05 28.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.231 2.212 . . . . 0.0 114.354 173.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 155.78 5.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.425 1.09 . . . . 0.0 113.635 169.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -140.79 110.09 6.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.329 1.052 . . . . 0.0 110.762 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -161.67 164.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.107 1.763 . . . . 0.0 110.398 173.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.76 -168.7 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.51 1.924 . . . . 0.0 112.227 167.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.94 -7.24 0.16 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 126.791 2.139 . . . . 0.0 118.177 -176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -47.06 -65.41 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.633 1.717 . . . . 0.0 111.524 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t -69.33 -35.83 76.31 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.155 -0.965 . . . . 0.0 113.109 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -49.98 -55.14 15.81 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.3 1.04 . . . . 0.0 109.92 170.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -62.81 -46.73 86.6 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 117.178 -1.392 . . . . 0.0 112.564 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -52.53 -49.89 63.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.764 1.62 . . . . 0.0 111.932 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.34 -24.05 32.25 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 119.967 -1.708 . . . . 0.0 114.798 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 p -81.67 -26.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.457 -0.777 . . . . 0.0 111.671 170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -70.1 -36.34 74.79 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.699 -1.25 . . . . 0.0 111.019 171.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.68 -57.8 3.95 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.852 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -44.0 97.39 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.114 0.965 . . . . 0.0 112.708 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.74 -19.79 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.952 1.301 . . . . 0.0 112.701 -174.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.95 -32.19 4.85 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 168.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -52.77 -56.49 15.28 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.697 1.135 . . . . 0.0 112.125 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -83.3 -40.89 18.92 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.79 1.281 . . . . 0.0 113.12 -166.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.45 -55.32 12.24 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 112.242 -2.254 . . . . 0.0 114.969 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.16 -47.64 3.18 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -160.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.818 2.047 . . . . 0.0 112.712 -172.577 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -128.87 151.72 49.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.27 1.828 . . . . 0.0 111.283 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.82 8.89 10.58 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.498 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.275 70.4 m 49.13 -83.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.525 2.33 . . . . 0.0 115.963 -176.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.61 91.18 2.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 122.058 2.208 . . . . 0.0 113.325 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.36 -30.04 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.091 1.756 . . . . 0.0 111.11 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 0.59 73.45 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 115.301 0.88 . . . . 0.0 115.301 -172.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.44 -58.54 0.83 Allowed 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.04 1.42 . . . . 0.0 110.438 170.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.87 42.04 27.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.551 1.54 . . . . 0.0 113.955 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.85 98.38 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 125.466 1.507 . . . . 0.0 113.489 -159.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.307 3.7 t 52.68 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 128.565 2.746 . . . . 0.0 115.204 173.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.68 -27.87 68.67 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.54 -1.35 . . . . 0.0 112.746 165.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -100.8 8.35 43.26 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.358 1.063 . . . . 0.0 112.079 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -67.49 -10.35 50.82 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.738 1.215 . . . . 0.0 114.143 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.55 -28.52 0.59 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -173.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.8 tptp -50.87 -67.36 0.26 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.459 1.503 . . . . 0.0 113.217 165.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.06 -36.84 78.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.879 2.472 . . . . 0.0 109.584 -173.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -46.49 66.21 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 129.274 3.029 . . . . 0.0 111.567 166.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.8 -42.97 63.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.606 1.194 . . . . 0.0 108.524 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -64.32 -15.36 60.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.048 2.139 . . . . 0.0 115.701 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -99.65 -26.62 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.402 1.001 . . . . 0.0 113.52 164.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 tp -71.41 -31.61 67.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.978 1.311 . . . . 0.0 112.767 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 124.545 1.138 . . . . 0.0 113.352 175.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 CA--C 1.552 1.024 0 CA-C-O 118.121 -0.943 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 51.11 -40.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.225 3.01 . . . . 0.0 117.176 -154.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mm -71.85 -28.39 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -170.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.33 -39.72 80.2 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.435 -0.791 . . . . 0.0 109.903 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.95 -47.77 76.46 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.799 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -55.13 23.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.586 1.155 . . . . 0.0 111.522 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -65.33 -41.16 94.23 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.785 0.802 . . . . 0.0 112.358 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t -61.68 -43.74 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.38 0.61 . . . . 0.0 110.602 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.84 -55.94 16.47 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.021 1.728 . . . . 0.0 110.87 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.41 -43.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.063 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.53 -27.77 62.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.87 -24.75 64.38 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.527 1.058 . . . . 0.0 110.744 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.44 -47.9 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.049 -1.032 . . . . 0.0 110.479 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.19 -47.0 81.48 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -172.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 t -122.17 -31.97 3.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.858 1.263 . . . . 0.0 113.296 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.18 68.67 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 121.004 -1.06 . . . . 0.0 113.802 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m 57.15 43.32 24.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 0.0 114.002 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 150.13 33.43 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.349 -0.844 . . . . 0.0 110.81 160.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -146.39 127.4 14.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.417 1.087 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.5 168.44 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.752 2.021 . . . . 0.0 109.622 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -63.53 -168.7 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.993 1.717 . . . . 0.0 111.791 165.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.5 0.2 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 118.32 2.088 . . . . 0.0 118.32 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -48.06 -63.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 120.034 1.917 . . . . 0.0 111.776 171.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -69.26 -35.6 76.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.887 -1.133 . . . . 0.0 113.404 -175.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -50.75 -55.89 14.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.156 0.982 . . . . 0.0 109.841 169.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -61.53 -45.93 92.1 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 125.043 1.337 . . . . 0.0 112.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -53.84 -51.52 63.32 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.263 1.392 . . . . 0.0 111.333 174.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.91 -27.53 39.93 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.725 -1.859 . . . . 0.0 114.135 -173.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.18 -28.34 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.548 -0.72 . . . . 0.0 111.686 172.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -72.31 -33.94 67.75 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.538 -1.351 . . . . 0.0 112.33 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.5 -55.35 16.4 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.179 0.592 . . . . 0.0 110.108 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -36.19 75.84 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.31 -21.67 15.77 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.518 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.19 -39.94 4.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 168.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.73 -47.02 85.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -76.41 -35.52 58.53 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.923 1.289 . . . . 0.0 112.635 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -89.7 -57.6 2.81 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.57 -46.01 4.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.927 1.291 . . . . 0.0 113.326 -170.463 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 ttp-105 -81.89 150.19 27.88 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.156 1.382 . . . . 0.0 112.72 -172.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.7 mmt -126.81 78.32 1.79 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.344 0.592 . . . . 0.0 110.6 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.462 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 57.9 m -51.41 113.76 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.742 0.782 . . . . 0.0 112.112 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.269 2.0 mt 49.91 72.29 0.33 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 129.841 3.257 . . . . 0.0 115.456 174.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -65.69 -32.24 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.799 1.24 . . . . 0.0 111.261 168.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.41 57.37 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.923 1.249 . . . . 0.0 114.159 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -138.49 -63.36 0.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.572 1.549 . . . . 0.0 110.462 169.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.0 39.5 7.8 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.351 1.86 . . . . 0.0 113.887 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -61.81 169.09 2.68 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.541 1.536 . . . . 0.0 111.7 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -36.88 -44.86 0.52 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.55 -34.05 58.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.287 -1.508 . . . . 0.0 113.41 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -91.47 10.37 28.0 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.609 2.364 . . . . 0.0 112.481 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.14 -8.63 54.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.78 1.632 . . . . 0.0 113.75 -177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -45.37 -29.03 0.96 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.977 1.262 . . . . 0.0 114.027 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.462 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 6.7 tptp -48.34 -69.9 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.034 1.733 . . . . 0.0 113.341 163.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.435 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.99 -35.22 76.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 127.388 2.275 . . . . 0.0 110.108 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -46.76 71.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.335 3.054 . . . . 0.0 111.143 168.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.84 -45.05 60.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 118.349 -1.34 . . . . 0.0 107.823 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -59.86 -31.09 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.333 1.853 . . . . 0.0 114.658 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.19 -28.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 171.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.68 -37.15 79.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.056 0.942 . . . . 0.0 111.692 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.7 pt -78.15 -177.79 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.633 1.173 . . . . 0.0 114.028 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -64.22 -26.45 68.51 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -141.54 140.71 33.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.942 1.297 . . . . 0.0 112.161 -177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.44 74.03 1.02 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.374 1.87 . . . . 0.0 112.151 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -63.34 -36.47 83.8 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -160.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.65 -44.12 8.78 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.16 1.384 . . . . 0.0 113.824 172.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.01 -39.71 86.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.54 0.736 . . . . 0.0 111.672 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -57.12 -40.45 77.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.523 -0.735 . . . . 0.0 110.614 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mt -62.32 -46.65 87.76 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 117.37 -1.3 . . . . 0.0 110.383 173.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.03 -54.95 27.75 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.195 1.361 . . . . 0.0 111.694 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t -68.29 -38.81 82.03 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.968 0.89 . . . . 0.0 111.495 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.25 -42.33 98.44 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.859 0.837 . . . . 0.0 110.964 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.88 -55.29 13.44 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.922 2.089 . . . . 0.0 110.695 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.92 -40.83 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 121.894 -0.504 . . . . 0.0 111.438 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.05 -26.71 62.3 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 118.805 -1.158 . . . . 0.0 113.568 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.63 -33.58 75.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.568 1.076 . . . . 0.0 111.507 171.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.32 -49.89 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 120.383 -1.448 . . . . 0.0 110.279 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.25 -43.5 81.73 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -126.62 -25.54 3.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 113.586 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.77 74.29 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 119.598 1.09 . . . . 0.0 112.99 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 58.03 45.82 17.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.469 1.908 . . . . 0.0 113.123 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -58.98 143.95 46.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.297 1.039 . . . . 0.0 110.598 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -147.06 118.98 8.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.528 1.131 . . . . 0.0 111.417 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -165.4 172.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.442 2.297 . . . . 0.0 108.823 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.02 -169.8 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.245 1.818 . . . . 0.0 113.196 161.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.59 -6.41 0.47 Allowed Glycine 0 N--CA 1.473 1.152 0 N-CA-C 117.56 1.784 . . . . 0.0 117.56 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -47.71 -64.02 0.9 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.298 2.049 . . . . 0.0 111.704 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -65.99 -37.1 85.08 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.742 -1.224 . . . . 0.0 113.197 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -52.26 -56.32 15.54 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -61.83 -44.85 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.506 1.522 . . . . 0.0 112.736 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -54.17 -46.66 72.38 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.926 1.694 . . . . 0.0 112.313 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.265 1.2 pp -83.42 -24.6 31.84 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.067 -1.645 . . . . 0.0 114.94 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 p -84.03 -27.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.501 -0.75 . . . . 0.0 112.1 171.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.2 t -68.3 -36.27 79.07 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.546 -1.346 . . . . 0.0 110.813 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -60.72 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.451 172.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.56 99.02 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.299 1.039 . . . . 0.0 112.004 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.16 -22.14 64.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.998 1.319 . . . . 0.0 113.316 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -111.19 -31.16 7.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 160.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.883 1.674 . . . . 0.0 112.281 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -39.67 16.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.787 1.28 . . . . 0.0 113.204 -170.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -69.48 -56.14 8.24 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.172 -2.285 . . . . 0.0 115.391 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -114.03 -48.61 2.89 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -157.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.257 9.5 p30 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.462 1.505 . . . . 0.0 114.027 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.426 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 32.8 ttp180 -136.35 144.43 44.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.317 1.047 . . . . 0.0 111.671 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.4 mmt -125.89 68.1 1.18 Allowed 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.756 0.66 . . . . 0.0 110.196 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 69.9 m -74.96 104.11 5.42 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.501 -0.762 . . . . 0.0 109.386 176.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -131.45 143.56 50.52 Favored 'General case' 0 CA--C 1.534 0.345 1 C-N-CA 135.378 5.471 . . . . 0.0 106.631 -3.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.76 -32.38 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.857 -0.527 . . . . 0.0 111.907 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.08 10.89 57.0 Favored Glycine 0 CA--C 1.546 1.986 0 C-N-CA 124.539 1.066 . . . . 0.0 114.131 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.81 -70.38 0.35 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.866 1.666 . . . . 0.0 111.108 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.16 55.87 7.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.54 2.336 . . . . 0.0 115.253 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -128.77 159.61 35.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.312 8.9 t 21.96 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 128.742 2.817 . . . . 0.0 117.185 -157.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.7 -17.78 64.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.247 1.419 . . . . 0.0 113.095 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -112.17 1.21 16.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.353 2.261 . . . . 0.0 112.031 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.85 -15.45 61.87 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -43.91 -28.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.662 1.585 . . . . 0.0 114.408 -176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.5 tptt -47.7 -71.8 0.06 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.417 1.487 . . . . 0.0 111.933 164.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.29 -36.0 76.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.859 1.663 . . . . 0.0 110.42 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -51.05 68.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.52 -43.36 69.79 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 116.262 -2.175 . . . . 0.0 105.743 -165.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -54.65 -44.2 73.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.332 2.253 . . . . 0.0 115.597 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -76.2 -25.78 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.934 1.697 . . . . 0.0 112.079 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.69 -30.32 41.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.685 0.794 . . . . 0.0 112.744 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 124.823 1.249 . . . . 0.0 112.856 171.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.74 -40.43 54.59 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.106 1.321 . . . . 0.0 112.722 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.9 -30.54 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.77 -43.9 90.51 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.462 -0.774 . . . . 0.0 110.797 171.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.21 -39.67 95.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.832 172.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -52.54 64.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.696 1.589 . . . . 0.0 111.043 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 t -67.31 -37.1 82.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 122.074 0.94 . . . . 0.0 112.216 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -62.91 -44.47 96.01 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 121.713 0.768 . . . . 0.0 110.811 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.49 -52.05 50.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.592 1.957 . . . . 0.0 110.725 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.85 -40.69 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 121.85 -0.532 . . . . 0.0 111.437 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.69 -25.45 62.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.364 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -61.8 -32.1 72.37 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.738 1.154 . . . . 0.0 112.146 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -77.32 -53.42 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 121.221 -0.925 . . . . 0.0 110.616 170.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -41.22 86.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -166.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.2 t -126.21 -28.91 3.07 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.605 1.162 . . . . 0.0 113.54 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.94 -15.7 69.62 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-N 119.417 1.008 . . . . 0.0 113.592 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.3 p 50.07 55.3 9.65 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.274 1.829 . . . . 0.0 112.189 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -32.44 -56.87 0.34 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 128.196 2.598 . . . . 0.0 116.246 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 52.22 68.15 0.86 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.185 2.194 . . . . 0.0 112.928 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 162.72 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.649 1.98 . . . . 0.0 109.818 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -64.3 -172.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 112.093 170.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.01 -6.39 0.13 Allowed Glycine 0 N--CA 1.473 1.105 0 N-CA-C 118.596 2.199 . . . . 0.0 118.596 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.6 m -45.4 -67.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.703 1.752 . . . . 0.0 111.872 168.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -70.72 -32.12 69.22 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.319 -0.863 . . . . 0.0 112.548 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -53.95 -55.41 27.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.417 1.087 . . . . 0.0 110.507 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -62.89 -44.49 95.97 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.207 1.403 . . . . 0.0 111.96 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -53.12 -48.38 67.91 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.91 1.232 . . . . 0.0 111.399 170.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.3 -40.19 74.41 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 119.801 -1.812 . . . . 0.0 112.976 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.6 p -80.46 -26.84 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 122.891 0.477 . . . . 0.0 111.964 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -70.99 -33.24 70.23 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.693 -1.254 . . . . 0.0 112.117 172.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.4 -55.22 16.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.583 0.753 . . . . 0.0 109.98 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.1 84.71 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.257 -0.402 . . . . 0.0 112.041 174.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.38 -19.96 17.15 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.491 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.5 mmt-85 -119.41 -23.34 6.7 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 165.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -68.85 -49.42 58.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.81 2.095 . . . . 0.0 112.85 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -69.82 -33.86 72.89 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.041 1.336 . . . . 0.0 112.171 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -93.55 -62.15 1.42 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -107.16 -41.66 5.08 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -156.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.367 2.267 . . . . 0.0 111.968 -176.266 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 40.7 ttp180 -55.58 145.25 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.757 1.623 . . . . 0.0 112.821 -174.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 18.7 mmt -123.37 74.93 1.28 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-O 121.714 0.768 . . . . 0.0 110.547 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.447 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 65.9 m -79.38 102.9 8.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.47 140.15 46.01 Favored 'General case' 0 CA--C 1.536 0.423 1 C-N-CA 136.194 5.798 . . . . 0.0 106.558 -0.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -89.12 -32.89 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.601 0.637 . . . . 0.0 112.37 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 8.84 58.82 Favored Glycine 0 CA--C 1.543 1.788 0 C-N-CA 123.981 0.8 . . . . 0.0 114.071 -171.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -139.82 -65.54 0.47 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.669 1.588 . . . . 0.0 109.861 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 39.64 19.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.176 1.791 . . . . 0.0 113.487 -177.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -61.52 169.08 2.48 Favored 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 125.606 1.562 . . . . 0.0 112.263 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -39.02 -43.14 0.96 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -77.82 -31.28 51.58 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.273 -1.517 . . . . 0.0 113.696 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -93.55 10.33 33.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.722 2.409 . . . . 0.0 112.738 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.17 -11.17 60.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.073 1.349 . . . . 0.0 113.947 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -44.6 -27.82 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.819 1.247 . . . . 0.0 114.26 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptt -47.91 -69.42 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.868 1.667 . . . . 0.0 113.049 163.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.444 HD23 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.06 -34.16 75.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.805 2.442 . . . . 0.0 109.947 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -43.18 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 128.472 2.709 . . . . 0.0 110.982 173.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.56 -41.1 61.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.909 -1.516 . . . . 0.0 107.389 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -59.59 -33.45 71.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.344 1.458 . . . . 0.0 114.817 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 pt -82.29 -28.2 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.791 1.632 . . . . 0.0 112.871 169.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -73.06 -31.12 64.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.6 pt -80.81 -172.09 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.676 1.19 . . . . 0.0 113.909 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -47.44 -43.72 24.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.737 2.415 . . . . 0.0 114.79 -172.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -152.52 160.51 43.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.081 1.353 . . . . 0.0 111.747 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.37 139.62 57.57 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.562 1.145 . . . . 0.0 111.798 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -131.16 -31.3 1.68 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -162.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.52 39.24 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.25 1.387 . . . . 0.0 112.705 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.36 -39.07 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.94 1.296 . . . . 0.0 112.007 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -60.0 -42.68 94.81 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.444 -0.785 . . . . 0.0 110.52 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.75 -43.97 97.28 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.235 171.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -55.9 -53.9 51.23 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.347 1.43 . . . . 0.0 111.703 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -67.53 -38.52 84.34 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.835 0.826 . . . . 0.0 111.639 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.0 -44.03 98.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.841 0.829 . . . . 0.0 110.584 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.75 -51.41 34.32 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.632 1.573 . . . . 0.0 111.715 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.13 -40.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.494 -0.754 . . . . 0.0 111.324 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.63 -26.82 62.72 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.844 -1.142 . . . . 0.0 113.344 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -66.35 -24.33 66.49 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.09 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.21 -52.48 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 120.77 -1.206 . . . . 0.0 110.701 167.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.3 -40.49 90.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -122.7 -30.16 3.91 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.649 1.179 . . . . 0.0 113.488 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.24 -25.99 74.99 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 119.812 1.187 . . . . 0.0 113.127 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.262 81.1 p 57.85 38.17 27.1 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.677 2.391 . . . . 0.0 112.542 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -49.17 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.95 1.3 . . . . 0.0 112.711 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 25.14 65.54 0.05 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.827 2.851 . . . . 0.0 116.251 165.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.17 -161.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.266 1.027 . . . . 0.0 111.654 173.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.95 173.76 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.542 1.537 . . . . 0.0 114.48 159.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.5 -7.98 0.73 Allowed Glycine 0 N--CA 1.476 1.315 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -46.63 -63.08 1.1 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.471 1.635 . . . . 0.0 110.94 167.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -72.42 -31.48 65.54 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.031 -1.043 . . . . 0.0 113.028 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -55.17 -54.7 39.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.294 1.038 . . . . 0.0 110.175 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.214 1.406 . . . . 0.0 112.551 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.387 1.449 . . . . 0.0 111.149 169.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -70.75 -35.54 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 120.135 -1.603 . . . . 0.0 113.22 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.5 p -82.86 -26.83 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.223 0.609 . . . . 0.0 112.092 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.8 t -70.02 -34.46 73.31 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.774 -1.204 . . . . 0.0 112.061 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.73 -58.04 4.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.673 0.789 . . . . 0.0 109.652 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -37.05 78.79 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -55.34 -19.5 9.0 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.529 0.732 . . . . 0.0 112.873 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -114.91 -40.2 3.56 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -58.77 -49.29 78.22 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.88 -35.96 62.29 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.898 1.279 . . . . 0.0 112.36 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -84.69 -60.25 2.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.57 -49.32 3.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -163.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.897 1.679 . . . . 0.0 112.737 -168.714 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.3 mtp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -128.38 150.85 49.93 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.531 1.932 . . . . 0.0 110.675 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -119.82 10.16 11.53 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.482 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 67.5 m 50.93 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.214 2.206 . . . . 0.0 114.71 -176.256 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.79 99.71 4.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.188 2.267 . . . . 0.0 111.426 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.6 -35.18 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.178 1.391 . . . . 0.0 111.428 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.11 3.28 51.47 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 125.148 1.356 . . . . 0.0 115.493 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.81 -43.26 0.35 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 118.983 1.391 . . . . 0.0 112.482 166.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.77 47.14 15.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.722 2.409 . . . . 0.0 116.053 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.43 108.45 19.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -157.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.322 3.2 t 52.39 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 129.242 3.017 . . . . 0.0 114.744 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.89 -28.23 68.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.501 1.12 . . . . 0.0 112.537 167.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -104.41 9.17 35.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.471 1.108 . . . . 0.0 112.753 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -71.27 -11.98 61.21 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -42.84 -31.19 0.46 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.843 1.657 . . . . 0.0 114.533 -174.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.4 tptp -52.27 -64.98 0.64 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.863 1.665 . . . . 0.0 112.907 167.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.16 -35.15 73.81 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.438 2.295 . . . . 0.0 109.735 -173.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -52.35 64.26 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.065 1.346 . . . . 0.0 108.527 167.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.01 -44.75 72.13 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -164.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -56.02 -39.82 72.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 128.032 2.533 . . . . 0.0 114.985 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -77.49 -27.28 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.856 1.207 . . . . 0.0 112.668 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.3 tp -76.69 -30.69 56.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.342 1.057 . . . . 0.0 112.458 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 125.299 1.44 . . . . 0.0 112.987 172.774 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.1 -34.4 21.84 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 119.945 1.248 . . . . 0.0 113.714 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.6 -36.43 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 124.179 0.992 . . . . 0.0 112.373 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -54.58 -42.95 71.67 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.913 -1.117 . . . . 0.0 110.408 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.17 -45.87 86.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.216 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.87 -55.81 15.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.335 1.425 . . . . 0.0 112.084 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -66.9 -39.82 87.55 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.917 0.865 . . . . 0.0 111.859 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -62.39 -44.7 95.84 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.42 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.35 -54.14 37.69 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.174 1.79 . . . . 0.0 110.877 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.36 -40.4 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 121.595 -0.691 . . . . 0.0 111.981 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.37 -24.06 61.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 118.783 -1.167 . . . . 0.0 113.504 174.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.41 -31.54 72.79 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.583 1.083 . . . . 0.0 111.055 169.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.03 -47.85 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.512 -1.368 . . . . 0.0 110.702 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.47 -49.83 61.82 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 t -117.83 -27.79 6.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.593 1.157 . . . . 0.0 113.249 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.58 -16.42 73.92 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.414 1.006 . . . . 0.0 113.229 170.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.318 61.9 p 54.68 35.95 25.02 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.519 2.328 . . . . 0.0 114.509 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -64.85 133.82 52.73 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.113 0.965 . . . . 0.0 110.765 171.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -156.06 112.59 3.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.41 1.884 . . . . 0.0 108.227 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.9 -172.27 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.515 1.126 . . . . 0.0 112.042 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -66.44 36.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 129.62 3.168 . . . . 0.0 117.051 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.1 -6.63 59.17 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 126.177 1.846 . . . . 0.0 115.07 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 m -60.78 -58.99 6.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.801 1.801 . . . . 0.0 110.873 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -65.15 -33.2 75.45 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.688 -1.257 . . . . 0.0 112.916 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -55.88 -58.31 8.41 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.554 1.142 . . . . 0.0 110.864 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -58.92 -43.15 91.06 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.914 1.286 . . . . 0.0 112.445 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.86 -52.38 57.5 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.043 1.292 . . . . 0.0 111.517 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.94 -25.43 43.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 119.505 -1.997 . . . . 0.0 114.85 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.0 p -81.96 -27.06 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.628 -0.67 . . . . 0.0 111.263 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 t -68.76 -33.02 73.2 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.747 -1.221 . . . . 0.0 111.504 171.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.99 -57.65 5.47 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.281 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -38.69 85.11 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.389 0.43 . . . . 0.0 111.231 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.22 -18.61 16.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.721 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -111.12 -38.34 5.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 161.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -61.55 -41.49 97.44 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 112.756 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.05 -35.75 42.08 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.603 1.561 . . . . 0.0 112.607 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -103.25 -63.25 1.19 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -174.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -75.25 -45.86 37.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.827 1.651 . . . . 0.0 114.593 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 m120 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.178 1.791 . . . . 0.0 112.813 -169.794 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -131.6 146.8 52.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.133 . . . . 0.0 112.628 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.0 mmt -121.51 12.89 10.87 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' SER . . . . . 0.448 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 68.8 m 46.36 -94.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.544 2.338 . . . . 0.0 115.187 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.423 ' O ' ' HE3' ' B' ' 56' ' ' LYS . 5.5 mt -125.98 86.06 2.48 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.22 1.827 . . . . 0.0 110.594 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.21 -37.82 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.476 -0.765 . . . . 0.0 110.515 174.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.71 3.26 52.69 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.862 1.22 . . . . 0.0 114.122 -170.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.91 -59.69 0.59 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.656 1.182 . . . . 0.0 110.328 169.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.84 42.72 32.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.776 2.031 . . . . 0.0 114.257 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 108.99 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.884 0.874 . . . . 0.0 112.839 -158.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.312 3.4 t 49.88 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.738 2.815 . . . . 0.0 115.444 177.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.64 -32.1 73.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.0 1.32 . . . . 0.0 112.516 167.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -101.73 8.87 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.4 1.08 . . . . 0.0 112.479 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.79 -10.82 58.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -44.31 -31.03 0.91 Allowed 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.397 1.453 . . . . 0.0 114.065 -174.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.1 tptp -47.91 -67.74 0.25 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.504 1.522 . . . . 0.0 113.523 165.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' LEU . . . . . 0.419 HD23 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.61 -37.5 79.84 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 127.244 2.217 . . . . 0.0 109.379 -173.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.92 -48.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 129.246 3.019 . . . . 0.0 111.14 168.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.73 -44.79 55.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.543 -1.263 . . . . 0.0 108.095 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -59.15 -37.92 78.44 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.169 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 pt -79.24 -29.36 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 173.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -71.74 -31.61 66.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 pt -84.16 -170.86 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.616 1.166 . . . . 0.0 114.058 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.18 -35.38 67.17 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.545 2.338 . . . . 0.0 115.029 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -148.93 145.19 27.28 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.889 1.276 . . . . 0.0 112.211 -176.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.42 71.61 0.66 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.126 2.171 . . . . 0.0 112.168 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -59.73 -36.05 75.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -162.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.17 -45.36 1.32 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.027 1.731 . . . . 0.0 114.09 169.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.59 -39.13 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 121.234 -0.916 . . . . 0.0 111.542 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -57.85 -40.81 81.04 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.771 -0.581 . . . . 0.0 110.684 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.55 -48.33 81.25 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.528 -1.225 . . . . 0.0 110.757 170.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -53.13 -55.74 21.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.96 1.255 . . . . 0.0 111.145 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -66.07 -39.26 89.93 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 119.464 1.029 . . . . 0.0 112.285 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -63.14 -41.79 99.36 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.966 0.888 . . . . 0.0 111.023 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.53 -55.79 13.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.813 2.045 . . . . 0.0 110.824 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.08 -41.79 81.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 121.757 -0.59 . . . . 0.0 111.442 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.8 -28.48 63.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.462 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.27 -25.05 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.528 1.058 . . . . 0.0 111.366 174.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.13 -48.48 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.673 -1.267 . . . . 0.0 110.467 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.64 -43.07 81.23 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -123.54 -31.89 3.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.595 1.158 . . . . 0.0 113.257 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.24 -20.21 69.05 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.047 -1.033 . . . . 0.0 113.245 172.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.68 45.27 19.3 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.704 2.002 . . . . 0.0 113.834 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -59.99 144.94 47.97 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.262 -0.899 . . . . 0.0 110.685 161.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -143.91 123.69 13.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.488 1.115 . . . . 0.0 111.837 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 p -164.17 169.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.372 2.269 . . . . 0.0 109.209 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.97 -162.51 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.15 1.38 . . . . 0.0 112.116 166.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.42 -7.4 0.88 Allowed Glycine 0 N--CA 1.47 0.959 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 -171.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 60.2 m -47.22 -65.89 0.49 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.469 1.634 . . . . 0.0 111.364 168.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.93 -35.58 78.68 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.97 -1.081 . . . . 0.0 113.098 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -50.67 -54.81 20.03 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.68 1.192 . . . . 0.0 110.05 170.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -64.22 -44.98 90.23 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.534 1.533 . . . . 0.0 113.225 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.423 ' HE3' ' O ' ' B' ' 8' ' ' LEU . 0.7 OUTLIER -55.54 -44.85 77.11 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.118 1.781 . . . . 0.0 111.784 172.448 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.66 -42.31 67.66 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.301 -1.5 . . . . 0.0 112.653 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p -79.6 -27.26 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.889 -0.507 . . . . 0.0 111.991 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -68.47 -37.2 79.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.074 -1.016 . . . . 0.0 111.325 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -59.58 3.18 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.906 175.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.33 98.12 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.607 0.763 . . . . 0.0 111.754 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.53 -19.49 63.69 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.785 1.234 . . . . 0.0 113.088 -174.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -110.55 -33.5 6.57 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 159.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -53.46 -52.22 60.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.504 1.956 . . . . 0.0 112.461 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -84.78 -41.0 16.57 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.868 1.318 . . . . 0.0 113.365 -167.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -64.45 -52.28 58.85 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.144 -2.298 . . . . 0.0 114.306 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.83 -85.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.599 1.56 . . . . 0.0 114.121 -170.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 127.907 2.483 . . . . 0.0 112.025 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -149.47 154.21 38.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.091 1.357 . . . . 0.0 111.86 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.11 -4.56 59.19 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.592 1.157 . . . . 0.0 113.056 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -50.41 117.53 2.47 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.085 1.354 . . . . 0.0 112.041 -170.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -70.37 152.32 44.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.788 1.235 . . . . 0.0 113.355 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -119.14 11.89 12.51 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.484 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.284 66.2 m 46.15 -89.29 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.831 2.452 . . . . 0.0 115.407 -177.595 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.23 93.47 3.08 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 122.111 2.232 . . . . 0.0 113.331 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.09 -32.23 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 126.447 1.899 . . . . 0.0 111.042 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.32 70.95 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.652 1.12 . . . . 0.0 115.265 -171.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -123.52 -68.11 0.89 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.171 1.486 . . . . 0.0 109.709 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.59 31.88 18.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.151 1.381 . . . . 0.0 114.357 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -56.79 164.39 1.54 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 126.152 1.781 . . . . 0.0 111.545 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -35.59 -43.95 0.29 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.78 -33.46 60.17 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.129 -1.607 . . . . 0.0 113.716 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.57 6.29 44.3 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.877 2.471 . . . . 0.0 113.119 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.06 -10.74 60.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.143 1.377 . . . . 0.0 113.881 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -45.16 -27.15 0.57 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.484 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.9 tptp -51.66 -67.74 0.23 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.021 1.328 . . . . 0.0 113.428 164.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.4 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -67.05 -39.3 86.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.656 2.382 . . . . 0.0 109.592 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.65 -48.25 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 130.147 3.379 . . . . 0.0 111.671 168.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -75.83 -41.06 53.68 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.55 -174.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -58.89 -37.58 76.91 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.741 1.617 . . . . 0.0 113.923 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 pt -79.27 -27.63 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.533 1.06 . . . . 0.0 112.976 171.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.55 -31.85 63.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.895 0.878 . . . . 0.0 112.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.6 pt -78.46 -173.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.64 1.176 . . . . 0.0 113.592 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -49.21 -41.77 38.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.378 2.271 . . . . 0.0 114.885 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -153.62 159.42 42.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.606 1.562 . . . . 0.0 111.072 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.87 147.29 43.45 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.789 0.836 . . . . 0.0 112.561 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -139.09 -27.99 0.8 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -167.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.21 33.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.249 1.023 . . . . 0.0 112.345 172.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.6 -37.58 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.8 1.64 . . . . 0.0 112.547 178.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.73 -45.19 90.18 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.383 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.76 -44.16 93.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 116.939 -1.505 . . . . 0.0 111.306 170.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.9 -53.33 54.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.927 1.694 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -67.77 -37.14 81.7 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 119.471 1.032 . . . . 0.0 112.144 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -41.97 98.77 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 0.0 111.326 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -69.9 -53.85 16.1 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 127.227 2.211 . . . . 0.0 110.247 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -57.0 -41.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.453 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.11 -25.54 61.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 118.584 -1.246 . . . . 0.0 113.426 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -26.47 67.29 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.557 1.071 . . . . 0.0 112.004 171.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.56 -51.52 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.523 -1.361 . . . . 0.0 110.384 167.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.8 -43.98 91.4 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.804 1.241 . . . . 0.0 113.629 -168.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -123.95 -29.03 3.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.932 1.293 . . . . 0.0 113.129 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -18.24 72.81 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 113.199 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.293 67.4 p 52.51 42.51 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.893 2.077 . . . . 0.0 114.134 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -55.64 142.4 34.04 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.726 0.81 . . . . 0.0 110.975 165.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -152.86 121.29 6.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.426 1.491 . . . . 0.0 109.976 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.445 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -162.23 165.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.868 . . . . 0.0 109.194 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -76.7 60.81 1.74 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.092 2.557 . . . . 0.0 114.35 -168.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.7 -8.88 67.19 Favored Glycine 0 N--CA 1.468 0.775 0 C-N-CA 127.598 2.523 . . . . 0.0 115.123 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 m -60.55 -58.48 8.32 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.212 2.006 . . . . 0.0 110.643 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.445 ' H ' HG13 ' A' ' 49' ' ' VAL . 6.2 t -66.53 -34.75 78.62 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -54.99 -54.38 43.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.266 1.026 . . . . 0.0 110.61 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -60.04 -43.06 95.59 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 125.429 1.492 . . . . 0.0 112.008 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.84 -45.43 86.25 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.244 1.384 . . . . 0.0 112.08 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.77 -42.94 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.223 -1.548 . . . . 0.0 112.351 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 p -78.76 -27.73 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.244 0.617 . . . . 0.0 112.025 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 t -71.44 -36.51 71.29 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.985 -1.072 . . . . 0.0 112.125 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -50.94 -55.88 15.07 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.326 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -40.0 94.35 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.781 0.719 . . . . 0.0 111.807 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.79 -18.54 32.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -33.54 6.14 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 165.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.82 -50.69 61.79 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.107 1.321 . . . . 0.0 113.895 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -70.35 -33.58 71.62 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.014 1.325 . . . . 0.0 112.514 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.89 -60.69 1.49 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -97.85 -43.04 7.28 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -160.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.403 2.281 . . . . 0.0 112.176 -174.361 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -64.04 143.34 57.95 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.508 1.123 . . . . 0.0 112.973 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.82 33.71 0.72 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.942 1.297 . . . . 0.0 113.188 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.74 109.21 3.24 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.152 -0.968 . . . . 0.0 110.794 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -66.28 149.82 49.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.144 0.978 . . . . 0.0 112.476 -174.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.0 14.19 10.65 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.462 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.281 70.7 m 48.02 -86.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.969 2.508 . . . . 0.0 116.1 -176.842 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.86 106.3 6.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.179 2.718 . . . . 0.0 113.721 168.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -80.12 -38.46 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 111.733 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.69 -3.3 26.1 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.053 1.311 . . . . 0.0 115.709 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -140.73 -53.13 0.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.024 1.412 . . . . 0.0 110.564 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.12 44.39 19.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.215 1.806 . . . . 0.0 114.808 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -96.62 102.44 14.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -160.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.322 4.2 t 52.88 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.095 2.958 . . . . 0.0 115.605 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.53 -23.7 63.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.714 1.206 . . . . 0.0 112.519 166.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.46 4.99 31.21 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.466 1.507 . . . . 0.0 112.384 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -68.95 -10.72 58.79 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -45.37 -27.93 0.77 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -173.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.462 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.7 tptp -53.04 -66.03 0.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.201 1.4 . . . . 0.0 113.048 166.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -68.14 -38.2 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.493 2.317 . . . . 0.0 109.519 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.13 -48.38 64.89 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 129.707 3.203 . . . . 0.0 111.571 167.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -72.88 -44.91 60.74 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.99 -34.08 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.598 1.959 . . . . 0.0 114.981 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -82.27 -28.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 119.088 0.858 . . . . 0.0 112.563 171.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -75.05 -31.1 61.2 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 pt -77.24 -177.41 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 0.0 113.405 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -61.28 -31.93 71.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -144.24 146.35 32.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.925 1.29 . . . . 0.0 112.1 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.27 141.33 58.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.08 0.952 . . . . 0.0 111.854 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -136.66 -29.68 0.93 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -161.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.89 37.01 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.502 1.501 . . . . 0.0 114.03 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 22.6 mm -71.47 -28.64 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.4 -47.41 75.94 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.8 -55.84 29.96 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 110.959 170.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 -51.85 26.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.535 1.134 . . . . 0.0 112.361 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.3 t -70.79 -39.9 72.86 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 121.509 -0.745 . . . . 0.0 111.954 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -59.17 -41.69 89.04 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.045 0.926 . . . . 0.0 110.679 174.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.59 -52.96 15.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.918 2.087 . . . . 0.0 110.692 -173.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.65 -42.72 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 121.613 -0.679 . . . . 0.0 111.161 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.13 -26.24 61.15 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 119.355 -0.938 . . . . 0.0 113.45 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.67 -24.46 63.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.571 1.078 . . . . 0.0 111.167 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.35 -46.35 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.915 -1.116 . . . . 0.0 110.358 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -64.45 -52.13 59.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -118.47 -30.31 5.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 112.746 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.37 -15.95 70.86 Favored Glycine 0 CA--C 1.54 1.656 0 O-C-N 121.229 -0.92 . . . . 0.0 114.015 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.3 p 53.02 41.38 32.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.176 2.19 . . . . 0.0 115.363 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.93 145.53 35.38 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.597 -0.689 . . . . 0.0 110.584 160.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -144.68 126.68 15.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.278 1.031 . . . . 0.0 111.774 -176.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -163.27 169.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 127.189 2.195 . . . . 0.0 109.278 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -60.64 -171.03 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.935 1.694 . . . . 0.0 112.239 165.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.89 -7.41 0.3 Allowed Glycine 0 N--CA 1.474 1.176 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -46.4 -67.41 0.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.526 1.663 . . . . 0.0 111.219 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -65.31 -41.58 93.89 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.182 0.901 . . . . 0.0 112.257 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -46.82 -53.2 12.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.211 1.004 . . . . 0.0 110.764 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -61.9 -41.67 98.18 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 125.079 1.352 . . . . 0.0 112.499 179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.71 -46.87 88.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.868 1.667 . . . . 0.0 112.095 172.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.28 -37.15 77.71 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 119.432 -2.042 . . . . 0.0 111.915 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.9 p -81.17 -28.36 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.521 0.728 . . . . 0.0 112.454 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.14 -32.24 66.71 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.331 -1.481 . . . . 0.0 112.269 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -49.15 -56.09 10.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.495 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.53 83.4 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.225 174.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.86 -24.69 16.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 119.032 -0.509 . . . . 0.0 112.106 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -46.64 4.73 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 170.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.09 -47.62 83.81 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -74.57 -32.67 62.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.795 1.238 . . . . 0.0 112.421 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.51 -61.65 1.37 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.33 -45.15 15.3 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -168.157 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 31.8 m120 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.971 1.708 . . . . 0.0 113.198 -173.194 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -148.31 157.85 43.74 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.063 1.345 . . . . 0.0 111.752 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -155.59 163.98 39.25 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.025 1.73 . . . . 0.0 111.562 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -68.02 148.59 50.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.443 1.097 . . . . 0.0 111.627 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -128.19 151.76 48.86 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.288 1.835 . . . . 0.0 111.14 178.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.3 mmt -122.26 11.55 10.11 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.503 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.27 66.5 m 45.98 -92.34 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.293 2.237 . . . . 0.0 115.516 -177.333 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.31 91.94 3.35 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 121.18 1.809 . . . . 0.0 110.817 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.79 -32.69 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.507 1.123 . . . . 0.0 111.158 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 4.44 57.23 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.003 1.287 . . . . 0.0 114.765 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -57.43 0.78 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.759 1.28 . . . . 0.0 110.168 162.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 49.08 36.63 9.09 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.08 1.752 . . . . 0.0 113.471 -178.44 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.29 170.82 2.12 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 126.265 1.826 . . . . 0.0 111.998 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -39.03 -42.72 0.92 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -76.53 -35.01 58.53 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.295 -1.503 . . . . 0.0 113.467 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -86.66 8.09 23.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.304 2.241 . . . . 0.0 113.717 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.41 -9.63 58.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.467 -1.395 . . . . 0.0 113.901 -172.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.82 -32.57 0.63 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.743 1.617 . . . . 0.0 114.051 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.9 tptp -49.99 -67.44 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.046 1.738 . . . . 0.0 113.006 166.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.13 -36.23 74.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.321 2.249 . . . . 0.0 109.763 -174.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.06 -51.28 64.6 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.821 1.248 . . . . 0.0 108.446 167.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -68.74 -44.59 73.46 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -166.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -58.75 -24.34 61.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 128.351 2.661 . . . . 0.0 116.32 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.0 pt -92.77 -27.03 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.713 1.597 . . . . 0.0 113.419 167.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -72.98 -31.04 64.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.012 1.325 . . . . 0.0 112.696 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 pt -74.45 -177.18 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.068 1.347 . . . . 0.0 113.623 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -62.82 -26.8 68.92 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -170.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -141.76 149.78 40.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.538 1.135 . . . . 0.0 112.986 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.12 142.69 54.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.215 1.006 . . . . 0.0 112.513 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -137.46 -139.14 0.15 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.911 0.884 . . . . 0.0 112.865 -170.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.55 -43.13 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.539 3.136 . . . . 0.0 116.961 -153.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mm -78.98 -29.55 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 125.048 1.339 . . . . 0.0 114.315 -166.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.6 -36.99 77.35 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.125 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.65 -47.32 84.22 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.356 171.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.13 -55.47 10.22 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.827 1.194 . . . . 0.0 112.46 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -66.75 -37.49 84.75 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 119.338 0.972 . . . . 0.0 111.958 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -42.62 96.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 122.027 0.918 . . . . 0.0 111.254 174.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -70.45 -54.21 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 127.012 2.125 . . . . 0.0 110.561 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.16 -42.25 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.877 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -72.21 -28.34 63.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.353 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -67.8 -23.37 65.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.216 0.916 . . . . 0.0 111.445 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.44 -46.74 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 172.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.46 -46.76 81.73 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.916 1.287 . . . . 0.0 113.533 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -125.76 -28.66 3.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.797 1.239 . . . . 0.0 113.488 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.57 74.28 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 113.426 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.05 44.52 22.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.589 1.956 . . . . 0.0 113.899 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.0 143.38 43.42 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.266 -0.896 . . . . 0.0 110.424 161.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -145.84 124.77 12.73 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.339 1.056 . . . . 0.0 111.597 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 p -164.56 171.29 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.438 2.295 . . . . 0.0 108.943 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -60.35 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.607 1.563 . . . . 0.0 111.987 164.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.83 -6.31 0.21 Allowed Glycine 0 N--CA 1.473 1.144 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -47.64 -65.59 0.54 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.027 1.914 . . . . 0.0 111.623 169.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -66.22 -36.27 82.6 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.833 -1.167 . . . . 0.0 113.071 -174.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -52.57 -56.18 17.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.737 1.215 . . . . 0.0 110.314 170.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.8 tptt -62.14 -43.6 98.47 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 117.194 -1.384 . . . . 0.0 112.725 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -51.69 -55.58 18.72 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.701 1.591 . . . . 0.0 111.427 170.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pp -80.42 -21.69 41.95 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.83 -1.794 . . . . 0.0 114.734 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.4 p -83.91 -25.84 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.779 -0.576 . . . . 0.0 111.817 170.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 t -70.01 -34.2 73.0 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.718 172.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.81 -57.2 4.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -38.07 76.51 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 119.176 -0.44 . . . . 0.0 112.019 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.6 -23.71 18.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.528 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -117.46 -25.76 6.88 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 165.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -66.33 -48.14 71.24 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 121.679 2.036 . . . . 0.0 113.137 176.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -72.06 -35.05 69.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.152 1.381 . . . . 0.0 112.219 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.69 -63.07 1.24 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -102.96 -42.9 5.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -158.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.276 1.431 . . . . 0.0 113.255 -169.809 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -139.47 162.44 35.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.099 1.359 . . . . 0.0 112.283 -172.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 19.3 m170 55.8 31.66 18.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.527 1.531 . . . . 0.0 114.782 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtt -58.04 120.92 9.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.42 -0.8 . . . . 0.0 112.118 -169.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -68.3 150.15 48.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.524 1.13 . . . . 0.0 112.921 -168.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.4 mmt -121.71 16.6 11.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . 0.271 92.0 p 42.74 -92.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.348 2.659 . . . . 0.0 115.298 -175.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -132.7 95.12 3.53 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 121.065 1.757 . . . . 0.0 110.735 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -77.18 -30.92 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.473 1.509 . . . . 0.0 111.493 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.96 54.86 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.89 1.71 . . . . 0.0 114.944 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 -62.21 1.04 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.187 1.494 . . . . 0.0 108.956 166.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 35.47 25.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.012 1.725 . . . . 0.0 113.812 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -57.14 162.98 2.31 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.793 1.637 . . . . 0.0 111.791 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -34.96 -43.18 0.18 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.39 -30.1 60.02 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.325 -1.484 . . . . 0.0 113.682 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.55 5.93 49.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.582 2.753 . . . . 0.0 113.098 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.53 -10.62 60.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.958 1.303 . . . . 0.0 114.332 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -42.88 -27.99 0.22 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 114.138 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -52.07 -68.29 0.18 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.628 1.571 . . . . 0.0 112.797 165.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.438 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.0 mm? -68.41 -38.03 80.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.695 2.398 . . . . 0.0 109.391 -173.297 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.57 -49.82 71.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.477 1.911 . . . . 0.0 109.478 167.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.21 -41.78 73.2 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -167.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -59.19 -35.78 74.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.261 2.624 . . . . 0.0 115.126 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.9 pt -80.02 -26.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.253 1.388 . . . . 0.0 112.782 170.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -76.9 -31.71 56.91 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.276 1.03 . . . . 0.0 112.478 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -78.46 -169.31 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 125.327 1.451 . . . . 0.0 113.051 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -48.84 -45.07 40.14 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.214 2.206 . . . . 0.0 114.798 -172.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -158.32 160.39 36.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.012 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.56 144.95 19.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.202 1.001 . . . . 0.0 111.651 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -143.21 -33.82 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.877 1.271 . . . . 0.0 113.875 -166.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 -46.4 9.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.269 1.828 . . . . 0.0 112.871 168.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 25.2 mm -78.34 -25.55 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 121.106 -0.996 . . . . 0.0 113.214 177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.1 -41.42 88.05 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.73 -1.231 . . . . 0.0 110.065 166.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.52 -53.66 53.57 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.976 169.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -46.68 -53.91 10.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.377 1.071 . . . . 0.0 112.085 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -64.64 -43.58 93.21 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 119.216 0.917 . . . . 0.0 111.89 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -41.1 85.06 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 122.826 1.298 . . . . 0.0 111.074 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -77.14 -50.36 13.18 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.732 2.013 . . . . 0.0 111.439 -171.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.73 -41.72 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.316 -0.865 . . . . 0.0 111.011 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.7 -26.83 62.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.839 -1.144 . . . . 0.0 113.408 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -64.28 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.526 1.057 . . . . 0.0 110.666 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.44 -46.2 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 120.569 -1.332 . . . . 0.0 110.647 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.8 -44.89 80.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.719 1.208 . . . . 0.0 113.625 -172.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -124.02 -31.38 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.457 1.103 . . . . 0.0 113.378 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.58 -17.76 67.16 Favored Glycine 0 CA--C 1.54 1.623 0 O-C-N 121.015 -1.053 . . . . 0.0 113.304 172.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m 57.13 46.98 18.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.034 2.134 . . . . 0.0 113.696 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -62.25 148.05 46.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.999 0.92 . . . . 0.0 110.672 163.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.66 125.89 20.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.834 1.253 . . . . 0.0 111.077 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -164.11 168.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.159 2.184 . . . . 0.0 109.518 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -61.61 -169.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.108 1.763 . . . . 0.0 112.284 165.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.36 0.24 Allowed Glycine 0 N--CA 1.473 1.133 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -47.7 -63.35 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.854 1.827 . . . . 0.0 111.009 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -66.2 -40.9 90.72 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.888 1.222 . . . . 0.0 112.539 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -47.86 -54.39 12.69 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.064 0.946 . . . . 0.0 110.625 171.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -61.5 -45.3 94.8 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 116.694 -1.622 . . . . 0.0 112.85 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.74 -57.12 9.11 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 121.099 1.772 . . . . 0.0 111.268 169.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.52 -30.11 65.55 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.81 -1.806 . . . . 0.0 112.674 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.7 p -83.42 -27.33 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.705 -0.622 . . . . 0.0 112.548 175.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 t -71.55 -32.1 67.74 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.439 -1.413 . . . . 0.0 112.183 174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.66 -59.19 2.9 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.92 0.888 . . . . 0.0 110.159 172.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -35.87 73.04 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 119.447 -0.311 . . . . 0.0 111.602 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.72 -19.62 28.66 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.761 -0.637 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -32.9 5.6 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 164.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -65.54 -52.77 50.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 113.632 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -69.14 -33.38 73.35 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.066 -1.021 . . . . 0.0 112.405 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -91.09 -59.88 2.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.514 1.926 . . . . 0.0 115.759 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -102.35 -45.65 5.03 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -160.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.927 2.091 . . . . 0.0 112.482 -175.17 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.489 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m -72.16 153.75 41.46 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.446 1.098 . . . . 0.0 112.927 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -127.15 146.58 50.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.584 1.554 . . . . 0.0 111.276 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 tpp -138.08 146.65 43.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.892 1.677 . . . . 0.0 110.078 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -96.79 146.2 25.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -168.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -127.14 63.83 1.32 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.209 1.003 . . . . 0.0 109.069 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.0 m -47.54 115.82 1.25 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.042 0.937 . . . . 0.0 113.469 -170.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.49 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.275 3.8 mt 51.7 70.21 0.57 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.259 3.024 . . . . 0.0 114.169 175.235 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -66.29 -30.54 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.818 1.247 . . . . 0.0 111.171 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.49 2.29 57.67 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 125.959 1.742 . . . . 0.0 115.145 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -134.53 -56.17 0.84 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.984 1.392 . . . . 0.0 110.206 164.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.92 44.15 23.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 113.718 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 97.33 9.17 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 113.531 -163.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.304 4.5 t 52.15 -68.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.821 2.849 . . . . 0.0 115.811 171.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -65.93 -26.57 67.66 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 120.506 -1.372 . . . . 0.0 112.391 164.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -99.98 5.97 45.15 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.703 1.601 . . . . 0.0 111.952 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.94 -8.98 53.31 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -43.48 -28.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -64.29 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.284 1.434 . . . . 0.0 112.258 168.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' H ' HD22 ' A' ' 20' ' ' LEU . 1.8 mm? -70.09 -36.77 75.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 127.708 2.403 . . . . 0.0 109.763 -174.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.01 -52.38 65.74 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 125.158 1.383 . . . . 0.0 109.032 168.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.2 tp -69.26 -42.34 75.7 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -163.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -52.21 -44.85 64.97 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.384 2.274 . . . . 0.0 115.351 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.59 -25.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 121.076 1.762 . . . . 0.0 112.435 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -77.79 -30.77 51.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.391 1.077 . . . . 0.0 112.82 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.7 pt -76.58 -170.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 125.121 1.368 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -45.9 -43.99 14.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.418 2.287 . . . . 0.0 114.693 -171.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -153.97 159.21 41.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.386 1.474 . . . . 0.0 111.107 171.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.35 146.02 41.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 112.447 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -138.37 -28.84 0.83 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -164.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.17 57.31 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.8 1.182 . . . . 0.0 112.505 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mm -66.96 -33.53 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -58.89 -40.88 85.76 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.4 -41.05 96.86 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 115.969 -1.967 . . . . 0.0 110.549 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.5 tp -53.43 -56.04 20.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.938 2.154 . . . . 0.0 111.844 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.2 t -66.26 -38.17 87.2 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 119.148 0.885 . . . . 0.0 111.74 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -61.69 -43.46 98.81 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.927 0.87 . . . . 0.0 111.046 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.19 -55.07 13.62 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.135 2.174 . . . . 0.0 110.518 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.69 -41.47 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.342 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -70.88 -26.97 63.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 118.423 -1.311 . . . . 0.0 113.348 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.56 -26.22 67.02 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.402 1.001 . . . . 0.0 112.053 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mp -80.97 -51.65 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.395 -1.441 . . . . 0.0 110.533 167.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.242 1.017 . . . . 0.0 113.637 -167.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 t -123.19 -29.25 3.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.525 1.13 . . . . 0.0 113.46 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 -17.56 75.73 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 119.65 1.114 . . . . 0.0 113.427 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.3 81.6 p 53.12 41.01 32.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.023 2.129 . . . . 0.0 114.642 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.54 142.15 45.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.885 0.874 . . . . 0.0 110.915 165.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -152.58 128.98 10.61 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 110.582 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 53' ' ' THR . 2.1 p -161.84 166.29 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.497 1.919 . . . . 0.0 109.156 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -64.01 59.93 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 131.007 3.723 . . . . 0.0 116.211 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.3 -6.42 15.49 Favored Glycine 0 N--CA 1.469 0.894 0 C-N-CA 126.717 2.104 . . . . 0.0 115.359 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.0 m -61.12 -58.34 8.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.576 2.188 . . . . 0.0 110.582 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.457 ' H ' HG12 ' A' ' 49' ' ' VAL . 7.1 t -61.5 -37.53 84.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.821 0.848 . . . . 0.0 113.227 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -56.28 -57.1 13.7 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.713 1.205 . . . . 0.0 110.796 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.2 tptt -59.99 -44.56 94.43 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.285 1.434 . . . . 0.0 112.113 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' HE2' ' O ' ' A' ' 8' ' ' LEU . 0.9 OUTLIER -50.27 -52.83 33.0 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.215 1.37 . . . . 0.0 111.635 169.615 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.61 -25.11 41.54 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.953 -1.717 . . . . 0.0 114.81 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.3 p -81.21 -26.49 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.635 -0.665 . . . . 0.0 111.722 172.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.8 t -71.86 -30.98 66.0 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.461 -1.399 . . . . 0.0 112.381 172.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.41 -56.84 7.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.916 172.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -37.68 84.77 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.92 0.327 . . . . 0.0 111.615 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.82 -24.7 24.13 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.747 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 -39.95 5.45 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 171.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.33 -51.29 61.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.969 0.908 . . . . 0.0 113.082 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -70.34 -36.48 74.24 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 112.319 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -90.22 -61.67 1.63 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -100.73 -35.83 9.32 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -159.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.425 1.89 . . . . 0.0 112.756 -179.255 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -68.77 152.59 45.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.47 1.108 . . . . 0.0 113.231 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -71.32 167.52 19.32 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.127 0.971 . . . . 0.0 112.229 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.2 tpp -65.33 141.6 58.52 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.305 -0.872 . . . . 0.0 110.51 162.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.46 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 46.9 ttp180 -137.92 143.73 40.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.768 1.627 . . . . 0.0 110.281 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 79.5 mmm -124.3 70.43 1.1 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.777 0.799 . . . . 0.0 110.606 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 67.7 m -76.93 102.85 6.56 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.649 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -133.99 142.75 47.78 Favored 'General case' 0 CA--C 1.535 0.397 1 C-N-CA 136.667 5.987 . . . . 0.0 107.119 -1.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -92.41 -43.05 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.39 1.28 27.92 Favored Glycine 0 CA--C 1.546 2.028 0 C-N-CA 125.138 1.351 . . . . 0.0 115.267 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -139.74 -60.75 0.54 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.85 1.325 . . . . 0.0 110.668 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.45 36.17 22.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.092 1.357 . . . . 0.0 113.715 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -55.66 162.82 1.54 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.701 1.6 . . . . 0.0 111.667 176.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -35.23 -42.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.82 -29.09 50.45 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.121 -1.612 . . . . 0.0 114.038 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 7.51 45.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.009 2.923 . . . . 0.0 112.869 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.31 -8.92 56.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.566 1.147 . . . . 0.0 113.9 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -45.56 -27.75 0.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.748 1.219 . . . . 0.0 113.998 -176.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.46 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.2 tptt -47.53 -73.28 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.718 2.007 . . . . 0.0 113.365 162.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.48 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.1 mm? -67.45 -35.21 78.76 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.901 2.48 . . . . 0.0 109.987 -173.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.78 -50.62 63.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.368 3.067 . . . . 0.0 111.537 167.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -72.61 -39.66 67.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 116.453 -2.099 . . . . 0.0 107.726 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -64.14 -26.03 68.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.136 1.774 . . . . 0.0 115.287 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -86.24 -29.89 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.825 1.193 . . . . 0.0 112.314 166.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.49 -27.68 63.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.923 0.889 . . . . 0.0 113.044 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.41 -141.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.897 1.679 . . . . 0.0 112.121 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -62.69 11.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 128.345 2.658 . . . . 0.0 115.481 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 68.07 149.43 0.06 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.479 3.112 . . . . 0.0 116.455 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 56.48 20.95 5.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.176 2.19 . . . . 0.0 116.77 168.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -57.98 -31.7 67.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -169.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.8 -36.95 7.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.79 0.836 . . . . 0.0 113.08 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.65 -29.35 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.58 -44.22 93.39 Favored 'General case' 0 C--O 1.242 0.708 0 O-C-N 121.383 -0.823 . . . . 0.0 110.202 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -49.1 78.66 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.211 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.8 tp -48.44 -55.11 11.77 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.73 1.604 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.8 t -68.19 -41.95 80.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.456 0.571 . . . . 0.0 111.61 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -62.64 -38.93 92.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.03 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.77 -54.79 9.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.304 2.242 . . . . 0.0 110.966 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.91 -43.4 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.019 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.6 -28.7 62.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 118.615 -1.234 . . . . 0.0 113.498 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.97 -23.02 64.07 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.587 1.085 . . . . 0.0 111.606 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.22 -46.97 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.693 -1.254 . . . . 0.0 110.199 173.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.26 -48.58 72.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.479 1.112 . . . . 0.0 113.494 -173.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -119.39 -31.26 4.68 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.505 1.122 . . . . 0.0 113.096 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.22 -15.28 72.21 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 121.237 -0.914 . . . . 0.0 114.225 171.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.316 82.1 p 54.5 37.65 28.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.218 2.207 . . . . 0.0 115.826 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.28 149.39 38.06 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.253 -0.904 . . . . 0.0 110.998 160.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -153.1 138.52 17.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.259 1.023 . . . . 0.0 112.074 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.493 HG11 ' H ' ' B' ' 53' ' ' THR . 2.6 p -161.26 160.96 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.759 2.023 . . . . 0.0 109.636 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.46 70.17 2.3 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.536 2.335 . . . . 0.0 114.455 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.38 -10.94 19.69 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 127.962 2.696 . . . . 0.0 115.55 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -58.6 -60.43 3.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.667 1.734 . . . . 0.0 109.52 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.493 ' H ' HG11 ' B' ' 49' ' ' VAL . 12.2 t -60.99 -44.58 97.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.584 -0.697 . . . . 0.0 112.578 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -47.17 -54.01 11.69 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.328 1.051 . . . . 0.0 111.198 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.8 tptt -60.78 -40.56 93.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 125.494 1.518 . . . . 0.0 112.671 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -55.73 -51.07 68.62 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.857 1.662 . . . . 0.0 111.965 167.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -66.58 -34.69 78.45 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.26 -2.15 . . . . 0.0 112.208 -175.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 8.3 p -86.39 -26.53 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -71.18 -30.73 66.78 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 120.315 -1.491 . . . . 0.0 112.361 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -45.88 -57.27 4.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 0.0 110.55 170.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -36.27 77.77 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 117.945 0.339 . . . . 0.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.63 -19.55 16.78 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.877 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 62.9 mtt-85 -116.82 -29.9 5.91 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 163.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.74 -46.74 74.46 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.548 1.522 . . . . 0.0 113.657 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -74.52 -35.71 63.16 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.695 1.198 . . . . 0.0 112.598 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -92.52 -58.7 2.28 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -103.76 -35.78 8.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -158.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.587 1.955 . . . . 0.0 112.282 -176.328 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -149.68 164.15 36.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.353 1.461 . . . . 0.0 111.614 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -147.8 167.81 23.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.348 1.459 . . . . 0.0 111.775 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt -81.23 152.75 27.51 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.571 1.148 . . . . 0.0 112.015 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.2 ttp180 -125.07 151.35 45.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.669 1.988 . . . . 0.0 111.157 176.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.0 11.52 10.29 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.522 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.253 68.5 m 47.79 -88.5 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.204 2.602 . . . . 0.0 116.109 -178.009 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.33 92.12 3.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.878 1.672 . . . . 0.0 110.279 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -76.62 -39.23 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.451 0.7 . . . . 0.0 111.255 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.73 1.54 49.5 Favored Glycine 0 CA--C 1.546 1.995 0 C-N-CA 124.921 1.248 . . . . 0.0 114.797 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -138.06 -51.51 0.6 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.147 1.474 . . . . 0.0 112.061 168.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.68 37.16 12.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.731 2.013 . . . . 0.0 115.572 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.43 105.41 17.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.577 0.751 . . . . 0.0 112.531 -160.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 4.6 t 51.66 -71.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.717 2.807 . . . . 0.0 115.148 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.37 -31.57 72.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.568 1.147 . . . . 0.0 112.561 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -100.31 6.72 44.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.161 0.984 . . . . 0.0 112.019 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -69.8 -8.5 48.76 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -42.87 -30.99 0.44 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.775 1.625 . . . . 0.0 115.204 -176.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.3 tptp -53.56 -64.07 0.94 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.673 1.589 . . . . 0.0 112.535 168.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.3 mm? -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 127.857 2.463 . . . . 0.0 109.629 -173.675 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -53.53 55.82 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 108.298 167.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.22 -45.8 72.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -162.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -52.28 -42.05 63.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.798 2.439 . . . . 0.0 114.839 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 pt -79.59 -26.32 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.782 1.174 . . . . 0.0 112.864 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.1 -30.22 55.25 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.409 1.084 . . . . 0.0 112.727 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -74.29 -177.26 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 124.892 1.277 . . . . 0.0 113.051 173.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.23 -28.95 69.53 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -167.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -147.41 155.07 41.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.713 1.205 . . . . 0.0 111.692 165.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.04 150.3 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 112.572 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -130.33 -53.34 1.1 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -170.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -35.62 -43.14 0.26 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.607 2.363 . . . . 0.0 116.73 -171.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.8 -34.37 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.95 -43.31 86.31 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.875 -1.141 . . . . 0.0 110.188 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.96 -45.57 94.19 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.035 173.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.86 -55.47 14.16 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.327 1.421 . . . . 0.0 111.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -66.17 -38.2 87.48 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 119.805 1.184 . . . . 0.0 112.358 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.81 92.15 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.717 1.246 . . . . 0.0 111.422 174.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -74.02 -52.25 13.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.928 2.091 . . . . 0.0 110.811 -172.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 pp -56.74 -41.95 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.025 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.39 -27.27 62.26 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.517 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -66.37 -25.13 66.65 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.52 1.055 . . . . 0.0 111.121 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.04 -47.44 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 120.977 -1.077 . . . . 0.0 110.948 171.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.16 -43.93 93.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.567 1.147 . . . . 0.0 113.565 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 -31.74 2.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.68 1.192 . . . . 0.0 113.489 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -18.47 65.88 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 120.885 -1.135 . . . . 0.0 113.516 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.53 43.32 22.91 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.749 2.019 . . . . 0.0 113.886 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.59 140.91 55.95 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.29 -0.881 . . . . 0.0 109.87 158.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -145.43 125.07 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.089 0.955 . . . . 0.0 112.046 -173.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -165.26 171.51 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.452 2.301 . . . . 0.0 109.141 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -60.22 -170.03 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.055 1.742 . . . . 0.0 112.107 164.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -6.84 0.37 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 117.902 1.921 . . . . 0.0 117.902 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.2 m -46.89 -65.57 0.54 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 119.623 1.712 . . . . 0.0 111.264 169.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -66.88 -38.94 87.25 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -49.54 -53.54 22.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.211 1.004 . . . . 0.0 110.713 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -61.76 -41.22 97.41 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.017 1.327 . . . . 0.0 112.429 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -57.25 -47.8 80.46 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.479 1.49 . . . . 0.0 112.589 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.27 -35.63 66.21 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 119.805 -1.81 . . . . 0.0 112.758 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.0 p -80.48 -27.02 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.794 -0.566 . . . . 0.0 111.922 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 6.6 t -70.54 -35.0 72.88 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.659 -1.275 . . . . 0.0 112.057 171.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.87 -54.8 7.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.423 173.23 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.62 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 175.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -57.73 -19.13 25.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.985 0.914 . . . . 0.0 113.096 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -111.96 -34.05 6.1 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 157.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -49.33 67.96 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.6 2.0 . . . . 0.0 113.559 -173.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -71.75 -29.87 64.97 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.623 1.169 . . . . 0.0 112.514 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -101.53 -58.31 1.91 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.468 2.307 . . . . 0.0 116.585 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -104.78 -43.31 5.14 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -157.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 113.262 -174.879 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -65.47 -21.6 66.66 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.956 0.903 . . . . 0.0 113.385 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -145.62 179.56 7.35 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.792 2.037 . . . . 0.0 110.097 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ttt -83.68 147.17 27.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.214 1.005 . . . . 0.0 111.217 169.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -129.68 153.36 48.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.327 1.451 . . . . 0.0 111.269 178.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mmt -120.3 11.41 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.455 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.253 69.9 m 46.16 -93.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.347 2.259 . . . . 0.0 115.227 -176.856 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.67 95.45 4.35 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.497 1.953 . . . . 0.0 109.89 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -77.54 -41.16 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.0 110.745 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.53 -0.73 39.76 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 125.704 1.621 . . . . 0.0 114.077 -170.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -132.22 -67.93 0.64 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.158 1.383 . . . . 0.0 109.249 170.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 34.09 22.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.319 1.448 . . . . 0.0 114.329 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.98 164.36 1.23 Allowed 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.76 1.624 . . . . 0.0 111.83 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -36.5 -42.67 0.36 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.23 -32.57 58.98 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.179 -1.575 . . . . 0.0 113.733 175.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -92.47 8.39 38.93 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.223 2.609 . . . . 0.0 112.974 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.79 -8.87 57.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.295 1.438 . . . . 0.0 114.1 -173.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.97 -28.14 0.63 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.819 1.247 . . . . 0.0 114.258 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.7 tptp -49.95 -69.71 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.125 1.77 . . . . 0.0 113.766 163.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.438 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.0 mm? -68.34 -36.93 79.98 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 127.557 2.343 . . . . 0.0 109.783 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -48.74 -50.05 35.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 129.316 3.046 . . . . 0.0 111.148 165.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.32 -41.86 60.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 117.619 -1.632 . . . . 0.0 108.817 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.0 -25.97 68.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 126.303 1.841 . . . . 0.0 114.867 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -88.75 -27.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.838 0.745 . . . . 0.0 112.925 168.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.59 -30.77 67.54 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.054 0.942 . . . . 0.0 112.732 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.2 pt -82.02 -175.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.076 1.35 . . . . 0.0 113.625 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -63.39 -32.03 73.36 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -142.84 149.49 38.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.726 1.21 . . . . 0.0 112.64 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.73 78.69 1.11 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.56 1.944 . . . . 0.0 112.539 -172.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -66.63 -43.67 84.04 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 -158.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -32.2 -47.44 0.15 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.451 2.301 . . . . 0.0 115.731 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mm -74.97 -27.67 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 120.296 1.407 . . . . 0.0 113.945 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.67 -38.9 79.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.813 -1.179 . . . . 0.0 110.307 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.3 mt -58.92 -57.88 11.11 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.581 168.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.34 -52.36 9.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.499 1.52 . . . . 0.0 112.109 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -47.96 66.81 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 119.409 1.004 . . . . 0.0 111.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.58 67.93 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 122.55 1.167 . . . . 0.0 110.399 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -76.04 -51.09 13.04 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 127.658 2.383 . . . . 0.0 112.377 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 pp -56.71 -38.91 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.926 0.785 . . . . 0.0 110.715 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.0 -30.41 63.76 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.71 -27.47 69.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.408 1.458 . . . . 0.0 111.203 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.84 -48.07 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.946 -1.096 . . . . 0.0 110.852 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.13 -45.57 69.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.398 1.079 . . . . 0.0 113.795 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -119.07 -32.06 4.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.96 1.304 . . . . 0.0 112.766 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.6 -13.57 74.63 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.083 -1.01 . . . . 0.0 114.058 171.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.314 81.7 p 54.94 37.37 28.67 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.138 2.175 . . . . 0.0 115.293 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.29 142.14 58.36 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.602 -0.686 . . . . 0.0 110.274 159.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -160.99 137.55 8.58 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.496 1.118 . . . . 0.0 111.771 172.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.34 -158.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 126.66 1.984 . . . . 0.0 109.329 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -55.97 -174.88 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.71 1.604 . . . . 0.0 113.635 160.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.26 -7.67 2.05 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 119.948 -1.72 . . . . 0.0 116.391 175.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -49.2 -58.28 5.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.174 1.987 . . . . 0.0 110.985 171.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -66.66 -42.46 86.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.95 1.25 . . . . 0.0 112.532 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -48.25 -53.43 17.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.387 1.075 . . . . 0.0 111.238 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.9 tptt -59.7 -42.68 93.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.784 1.634 . . . . 0.0 112.932 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -52.66 -52.97 53.4 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 121.066 1.757 . . . . 0.0 111.503 169.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.74 -36.08 77.94 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.184 -1.573 . . . . 0.0 112.635 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -84.85 -27.45 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 112.445 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 t -70.06 -34.09 72.76 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 120.737 -1.227 . . . . 0.0 111.76 174.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.77 -59.13 2.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.465 0.706 . . . . 0.0 111.022 175.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -36.46 74.07 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.338 -0.363 . . . . 0.0 111.723 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.98 -19.37 17.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.205 0.602 . . . . 0.0 112.508 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -34.44 5.62 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 164.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.12 -49.75 70.98 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.072 1.305 . . . . 0.0 113.703 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -72.78 -35.29 67.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.592 1.157 . . . . 0.0 112.596 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.51 -58.26 2.59 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -102.25 -44.48 5.4 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -161.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.087 2.155 . . . . 0.0 112.428 -175.751 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t 59.88 177.41 0.09 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.942 1.697 . . . . 0.0 114.58 -173.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -154.34 173.77 15.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.021 1.728 . . . . 0.0 111.76 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -83.29 152.37 25.16 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.564 1.146 . . . . 0.0 111.635 165.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -128.82 155.21 45.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.245 1.818 . . . . 0.0 111.498 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.2 mmm -120.77 7.01 10.44 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.264 74.8 m 48.14 -86.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.54 2.336 . . . . 0.0 115.172 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.56 97.87 4.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 121.363 1.892 . . . . 0.0 110.471 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.49 -38.03 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.828 0.851 . . . . 0.0 110.776 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 7.51 54.37 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.596 1.093 . . . . 0.0 114.013 -170.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.7 -64.26 0.46 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.356 1.462 . . . . 0.0 110.906 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.7 33.47 13.98 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.501 1.52 . . . . 0.0 114.385 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -63.19 167.83 4.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 125.479 1.512 . . . . 0.0 111.305 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -33.52 -45.36 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -77.14 -30.41 55.09 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.144 -1.597 . . . . 0.0 113.88 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.72 7.2 46.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.183 2.593 . . . . 0.0 113.154 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.69 -12.59 61.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.881 1.672 . . . . 0.0 113.95 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.44 -28.89 0.61 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.8 tptp -49.48 -70.16 0.1 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.835 1.654 . . . . 0.0 113.607 164.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD23 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -67.92 -36.57 80.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.321 2.248 . . . . 0.0 109.794 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -47.98 60.36 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.974 2.91 . . . . 0.0 111.243 166.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -73.84 -42.0 61.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.716 -1.593 . . . . 0.0 108.813 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.14 -15.68 57.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.787 2.035 . . . . 0.0 115.568 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.6 pt -100.27 -26.88 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.222 1.009 . . . . 0.0 113.427 165.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -30.24 66.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.856 1.262 . . . . 0.0 112.794 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.0 pt -75.79 -176.78 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.778 1.231 . . . . 0.0 113.573 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -62.32 -28.27 69.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -147.42 151.1 35.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.845 1.258 . . . . 0.0 112.207 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 144.15 56.99 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.77 1.228 . . . . 0.0 113.077 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -136.65 -137.9 0.15 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.245 1.018 . . . . 0.0 112.419 -176.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.62 -43.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 129.718 3.207 . . . . 0.0 117.15 -155.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.12 -30.5 36.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 124.765 1.226 . . . . 0.0 113.713 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.23 -41.61 68.91 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.826 -0.546 . . . . 0.0 110.364 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.41 -48.82 73.93 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.187 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -53.39 32.18 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.736 1.153 . . . . 0.0 111.818 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -68.4 -38.92 81.73 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.516 -0.74 . . . . 0.0 112.43 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -41.96 97.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.729 0.776 . . . . 0.0 110.688 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.16 -54.01 21.02 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.967 2.107 . . . . 0.0 110.698 -175.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.32 -42.68 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.921 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.59 -27.41 62.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 119.065 -1.054 . . . . 0.0 113.607 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.05 -24.34 64.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.757 1.162 . . . . 0.0 111.234 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.82 -46.99 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.002 -1.061 . . . . 0.0 110.305 171.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.54 -48.32 72.85 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -119.83 -32.62 4.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.942 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.88 -13.91 64.7 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 114.093 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.365 3.5 t 55.24 37.87 29.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.324 2.25 . . . . 0.0 115.024 175.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -60.36 144.85 49.81 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.994 -1.066 . . . . 0.0 110.577 161.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -148.32 135.63 20.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.517 1.127 . . . . 0.0 111.74 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.74 170.34 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.9 2.08 . . . . 0.0 109.534 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.79 -169.93 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.519 1.927 . . . . 0.0 113.248 161.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.53 -6.55 0.19 Allowed Glycine 0 N--CA 1.475 1.291 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.9 m -48.7 -66.56 0.38 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.776 1.788 . . . . 0.0 111.37 170.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -67.88 -33.3 74.47 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.137 -0.977 . . . . 0.0 113.08 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -53.44 -54.64 34.05 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.208 1.003 . . . . 0.0 109.988 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.7 tptt -63.85 -43.01 97.4 Favored 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.089 1.355 . . . . 0.0 112.967 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -55.08 -49.44 71.66 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.446 1.475 . . . . 0.0 111.429 171.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.61 -40.21 76.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 119.838 -1.789 . . . . 0.0 112.449 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.4 p -80.63 -25.2 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.255 0.622 . . . . 0.0 111.923 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -71.65 -34.73 70.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.775 -1.203 . . . . 0.0 112.157 172.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -48.1 -55.13 10.99 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.388 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -36.58 75.25 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -54.25 -23.79 16.21 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.98 -1.009 . . . . 0.0 112.504 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -117.49 -26.18 6.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -66.14 -47.29 74.57 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 121.858 2.117 . . . . 0.0 112.861 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.91 -36.22 64.72 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.066 1.346 . . . . 0.0 112.325 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -89.68 -59.67 2.14 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -103.27 -69.77 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -163.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.865 2.066 . . . . 0.0 113.282 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -86.98 108.27 18.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.899 1.28 . . . . 0.0 111.728 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -129.23 87.04 2.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.656 3.182 . . . . 0.0 108.835 -4.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -75.51 162.91 27.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.7 0.8 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -133.5 147.38 51.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.579 1.152 . . . . 0.0 111.823 175.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.6 mmt -123.05 9.21 9.29 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.446 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 58.2 m 51.16 -90.87 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.425 2.29 . . . . 0.0 114.581 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt -130.0 96.13 4.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.435 1.925 . . . . 0.0 110.287 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.49 -35.18 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.234 1.014 . . . . 0.0 110.588 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -1.22 57.59 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.262 1.411 . . . . 0.0 113.644 -170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.7 -71.33 0.58 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.447 1.499 . . . . 0.0 109.065 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.21 33.25 23.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.299 1.44 . . . . 0.0 114.286 -177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -56.96 165.02 1.36 Allowed 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 126.193 1.797 . . . . 0.0 112.013 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -37.14 -42.66 0.45 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.95 -31.7 56.79 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.192 -1.567 . . . . 0.0 113.798 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -93.22 8.41 40.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.074 2.549 . . . . 0.0 113.18 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.31 -10.98 60.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.346 1.459 . . . . 0.0 113.658 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -43.86 -31.05 0.76 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.733 1.213 . . . . 0.0 113.574 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.446 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.4 tptp -47.79 -67.94 0.23 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.008 1.323 . . . . 0.0 113.512 165.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -67.33 -37.53 83.43 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.367 2.267 . . . . 0.0 109.773 -173.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.39 -47.58 69.4 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 129.478 3.111 . . . . 0.0 111.247 169.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -72.95 -45.8 56.05 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -59.01 -35.12 72.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.241 1.816 . . . . 0.0 114.655 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 pt -82.2 -28.97 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.872 0.76 . . . . 0.0 112.54 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -73.95 -30.94 62.81 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.7 pt -78.47 -172.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.513 1.125 . . . . 0.0 113.535 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -47.2 -44.22 22.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.58 2.352 . . . . 0.0 114.777 -171.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -155.43 160.19 40.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.613 1.565 . . . . 0.0 111.309 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.91 146.3 32.63 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 112.347 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 54.2 t80 -138.9 -35.05 0.58 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -167.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.88 -44.43 2.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.373 1.469 . . . . 0.0 112.957 164.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.37 -43.91 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 124.659 1.184 . . . . 0.0 112.11 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -57.39 -38.52 74.39 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.641 -0.662 . . . . 0.0 110.425 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mt -62.0 -45.58 92.96 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.487 172.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.7 tp -54.36 -55.79 25.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.163 1.347 . . . . 0.0 112.054 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.3 t -66.52 -37.87 85.96 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 119.316 0.962 . . . . 0.0 111.795 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -61.84 -43.91 97.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.799 0.809 . . . . 0.0 110.766 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.68 -53.61 31.94 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.366 1.866 . . . . 0.0 110.853 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.63 -40.19 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 121.774 -0.579 . . . . 0.0 111.708 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.63 -26.25 62.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.636 -1.226 . . . . 0.0 113.277 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.91 -25.79 66.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.646 1.112 . . . . 0.0 111.799 171.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.15 -50.04 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.557 -1.339 . . . . 0.0 110.331 169.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.35 -45.62 75.81 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -170.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -121.4 -27.86 4.74 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.605 1.162 . . . . 0.0 113.279 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.79 -20.58 76.06 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 119.406 1.003 . . . . 0.0 113.105 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m 59.39 40.08 21.37 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.238 1.815 . . . . 0.0 113.505 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -64.42 129.88 41.61 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 162.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -161.93 118.47 2.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.714 1.205 . . . . 0.0 110.036 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 18.0 m -137.53 -155.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.015 1.726 . . . . 0.0 109.455 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -55.0 -179.51 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.749 1.219 . . . . 0.0 113.01 159.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 -7.08 1.25 Allowed Glycine 0 N--CA 1.472 1.086 0 O-C-N 120.003 -1.686 . . . . 0.0 116.992 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -43.23 -67.09 0.3 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.311 2.055 . . . . 0.0 112.296 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -67.56 -36.03 80.16 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -53.05 -54.12 40.07 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.776 1.23 . . . . 0.0 110.706 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.0 tptt -61.99 -44.09 97.47 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.651 1.58 . . . . 0.0 112.444 -177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.04 -47.17 71.88 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.488 1.495 . . . . 0.0 111.729 171.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.86 -37.38 70.24 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.314 -1.491 . . . . 0.0 113.167 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -84.99 -25.64 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.189 0.596 . . . . 0.0 112.569 178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -70.1 -34.23 72.87 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.506 -1.371 . . . . 0.0 111.486 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.78 -59.54 2.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.185 173.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.69 84.19 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.16 -19.2 31.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.213 0.605 . . . . 0.0 112.389 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.44 -33.52 5.56 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 163.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -64.93 -48.82 72.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.974 1.261 . . . . 0.0 113.688 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -72.5 -34.14 67.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.862 1.265 . . . . 0.0 112.503 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.31 -57.79 2.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -159.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 124.901 1.28 . . . . 0.0 113.186 -170.435 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -75.24 -17.29 60.36 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -128.76 148.35 50.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.83 1.652 . . . . 0.0 111.174 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -126.03 168.07 14.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.032 1.733 . . . . 0.0 111.121 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -133.18 150.55 51.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.311 1.045 . . . . 0.0 113.579 -174.224 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -123.17 12.88 9.6 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m 47.4 -87.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.051 2.54 . . . . 0.0 115.385 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.34 114.28 12.8 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.289 2.313 . . . . 0.0 113.338 170.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.04 -35.25 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.575 1.55 . . . . 0.0 111.641 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.97 -1.35 35.65 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.102 1.334 . . . . 0.0 115.934 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -136.59 -51.27 0.69 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.181 1.491 . . . . 0.0 109.976 161.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.31 36.47 16.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 113.315 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.03 166.69 15.39 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.279 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -26.51 -50.22 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.54 -29.55 61.41 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.3 -1.5 . . . . 0.0 114.307 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -95.99 9.29 41.22 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.814 2.846 . . . . 0.0 113.208 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.03 -8.7 57.57 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 113.46 -171.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -42.11 -32.35 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.926 1.691 . . . . 0.0 113.577 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -50.35 -68.75 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.718 1.607 . . . . 0.0 112.774 166.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -69.52 -35.83 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.479 2.311 . . . . 0.0 109.787 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.9 -53.34 56.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 125.08 1.352 . . . . 0.0 108.44 167.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.16 -42.37 80.13 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -162.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 129.435 3.094 . . . . 0.0 116.838 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 pt -83.0 -28.74 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 120.108 1.322 . . . . 0.0 112.478 168.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.19 -34.49 56.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.285 1.034 . . . . 0.0 112.2 -171.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.504 HG13 ' H ' ' A' ' 27' ' ' ASN . 10.3 pt -57.94 -54.0 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.713 1.605 . . . . 0.0 114.049 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.504 ' H ' HG13 ' A' ' 26' ' ' ILE . 4.3 p30 -151.04 -66.05 0.19 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.307 1.843 . . . . 0.0 110.283 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -158.47 -38.16 0.06 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 168.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -155.1 146.33 22.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.659 1.118 . . . . 0.0 112.771 -170.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -160.93 -36.11 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.568 1.147 . . . . 0.0 113.948 172.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.33 -40.22 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.502 1.521 . . . . 0.0 113.123 167.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mm -72.03 -34.59 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.56 -44.37 65.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 166.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.88 -48.35 79.39 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.966 174.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -53.49 -56.05 20.19 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.815 1.189 . . . . 0.0 110.498 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -66.51 -38.6 87.57 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 118.841 0.746 . . . . 0.0 111.526 -173.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -42.74 99.67 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.371 0.605 . . . . 0.0 110.745 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.0 -53.44 31.41 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.212 1.805 . . . . 0.0 111.018 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -58.59 -42.61 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 121.766 -0.584 . . . . 0.0 111.259 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.68 -25.26 61.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 118.86 -1.136 . . . . 0.0 113.663 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -65.0 -32.64 74.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.391 0.996 . . . . 0.0 110.972 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.11 -45.28 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 120.641 -1.287 . . . . 0.0 110.222 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -66.28 -47.52 73.38 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -124.05 -30.53 3.48 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.401 1.081 . . . . 0.0 113.546 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.23 -11.02 58.31 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.036 -1.04 . . . . 0.0 114.338 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.361 3.6 t 55.71 38.06 29.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.456 2.302 . . . . 0.0 114.923 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -61.27 144.82 53.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.157 0.983 . . . . 0.0 110.454 164.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -148.0 125.77 11.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.967 0.907 . . . . 0.0 111.943 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.32 170.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 127.53 2.332 . . . . 0.0 109.015 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -61.17 -171.53 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.813 1.645 . . . . 0.0 112.061 165.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.44 0.2 Allowed Glycine 0 N--CA 1.475 1.263 0 N-CA-C 118.037 1.975 . . . . 0.0 118.037 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -47.23 -66.0 0.47 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.689 1.745 . . . . 0.0 111.401 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -69.98 -34.6 73.57 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.235 -0.916 . . . . 0.0 113.097 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -51.38 -54.97 21.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.519 1.128 . . . . 0.0 110.01 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -61.82 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 117.186 -1.387 . . . . 0.0 112.306 -179.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -54.98 -50.23 69.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.7 1.591 . . . . 0.0 111.605 173.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 pp -82.37 -20.22 37.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 119.535 -1.978 . . . . 0.0 115.102 -173.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.5 p -84.8 -27.01 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.625 0.648 . . . . 0.0 111.843 170.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.5 t -69.73 -31.66 69.77 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.69 -1.256 . . . . 0.0 112.276 171.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.6 -55.54 7.47 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -38.32 78.56 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.48 -18.56 11.81 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -116.86 -32.46 5.1 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 161.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.75 -45.84 92.77 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.299 1.863 . . . . 0.0 112.992 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -75.95 -38.27 57.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 112.651 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.24 -57.52 2.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.36 -40.59 6.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -158.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m120 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 113.045 -173.502 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.15 164.77 32.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.434 1.494 . . . . 0.0 112.266 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -150.88 165.0 34.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.262 1.425 . . . . 0.0 111.571 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -70.75 149.19 47.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.522 1.129 . . . . 0.0 111.597 169.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -123.67 153.93 40.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.606 1.962 . . . . 0.0 110.7 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.59 11.7 9.89 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.416 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.265 62.5 m 50.43 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.501 2.321 . . . . 0.0 115.719 -177.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.11 110.16 6.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 122.613 2.46 . . . . 0.0 113.416 170.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -86.4 -35.32 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.122 1.769 . . . . 0.0 111.941 -175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -1.36 31.82 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.934 1.254 . . . . 0.0 115.5 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.79 -59.56 0.51 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.754 1.221 . . . . 0.0 111.313 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 34.93 18.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.58 1.552 . . . . 0.0 114.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.84 166.08 9.62 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.747 176.003 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -30.2 -47.01 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.03 -30.67 62.54 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.374 -1.454 . . . . 0.0 114.212 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -98.78 12.07 36.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.893 2.877 . . . . 0.0 112.726 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -80.34 -8.56 59.55 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.839 -1.163 . . . . 0.0 113.755 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -41.85 -30.19 0.24 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.869 1.668 . . . . 0.0 114.4 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.416 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -52.34 -67.24 0.27 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.708 1.603 . . . . 0.0 112.654 166.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.453 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.52 -36.63 79.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 128.002 2.521 . . . . 0.0 109.391 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -53.62 53.6 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.939 1.296 . . . . 0.0 108.802 167.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.91 -45.7 70.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -160.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -52.74 -46.06 67.27 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 129.019 2.928 . . . . 0.0 115.975 174.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.02 -28.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.908 0.776 . . . . 0.0 111.605 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.4 -32.38 54.77 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.027 0.931 . . . . 0.0 112.914 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.528 HG13 ' H ' ' B' ' 27' ' ' ASN . 14.2 pt -77.34 -65.12 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -172.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.528 ' H ' HG13 ' B' ' 26' ' ' ILE . 70.5 m-80 -141.74 11.5 2.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.115 2.166 . . . . 0.0 111.584 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 66.33 151.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.854 2.861 . . . . 0.0 116.602 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 54.6 26.67 7.61 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 165.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -73.55 -29.96 62.77 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.043 -1.661 . . . . 0.0 115.303 -171.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 -31.77 35.15 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.334 -1.479 . . . . 0.0 113.848 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -64.85 -34.68 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.29 -49.31 69.92 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.445 1.098 . . . . 0.0 109.189 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.44 -47.46 86.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.041 -1.457 . . . . 0.0 111.141 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -52.92 -53.82 43.88 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.913 1.688 . . . . 0.0 111.745 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -70.9 -35.67 72.39 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.434 1.016 . . . . 0.0 111.646 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -40.6 97.87 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.585 0.707 . . . . 0.0 111.051 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.84 -53.67 20.1 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 126.749 2.02 . . . . 0.0 110.497 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -57.77 -41.82 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.484 0.584 . . . . 0.0 111.5 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.16 -25.39 62.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.645 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.33 -27.69 68.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.771 1.169 . . . . 0.0 112.215 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.01 -51.79 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 120.468 -1.395 . . . . 0.0 109.975 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.95 -40.29 79.04 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -167.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 t -124.7 -28.67 3.52 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.514 1.125 . . . . 0.0 113.519 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.18 72.64 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.73 1.15 . . . . 0.0 112.994 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.56 45.99 18.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.47 1.908 . . . . 0.0 113.368 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -57.65 140.83 50.23 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.481 -0.762 . . . . 0.0 110.6 163.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -152.99 115.42 4.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.084 1.354 . . . . 0.0 110.1 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.451 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.68 164.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.321 1.848 . . . . 0.0 109.489 -177.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -76.24 60.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.111 2.564 . . . . 0.0 114.505 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.86 69.69 Favored Glycine 0 N--CA 1.468 0.806 0 C-N-CA 127.448 2.451 . . . . 0.0 115.149 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.22 -61.08 2.87 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.057 1.928 . . . . 0.0 110.393 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.451 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.0 t -61.83 -36.29 80.76 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.975 -1.078 . . . . 0.0 113.201 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -55.41 -55.74 28.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.887 1.275 . . . . 0.0 111.107 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -60.72 -41.43 95.27 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.229 1.411 . . . . 0.0 112.556 -178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.88 98.46 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.697 1.59 . . . . 0.0 111.929 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.83 -42.97 84.96 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 120.024 -1.672 . . . . 0.0 112.616 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.4 p -82.69 -24.38 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.221 0.608 . . . . 0.0 112.218 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.37 -34.66 68.12 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.892 -1.13 . . . . 0.0 112.345 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -46.95 -56.77 5.81 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.291 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 118.849 0.75 . . . . 0.0 112.339 175.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.08 -19.41 31.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.917 0.887 . . . . 0.0 113.2 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.252 24.4 mtt180 -117.18 -32.23 5.07 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 158.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.2 -46.66 87.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.036 1.743 . . . . 0.0 113.605 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -75.65 -38.22 59.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.081 1.352 . . . . 0.0 112.719 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -87.76 -55.87 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.587 1.555 . . . . 0.0 115.078 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -104.29 -78.17 0.56 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.395 1.878 . . . . 0.0 113.443 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.531 2.332 . . . . 0.0 112.435 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -93.0 -9.01 41.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -129.82 25.85 5.29 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.171 1.389 . . . . 0.0 112.76 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm -57.26 114.12 2.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 -169.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -71.29 152.69 43.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.846 1.258 . . . . 0.0 112.716 -169.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -120.65 8.04 10.6 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.459 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 51.1 m 50.93 -91.67 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.421 2.288 . . . . 0.0 114.997 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -131.96 96.36 3.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 121.395 1.907 . . . . 0.0 111.044 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.4 -33.84 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.068 1.347 . . . . 0.0 111.477 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.76 1.81 52.58 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.542 1.544 . . . . 0.0 115.425 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -135.79 -50.82 0.72 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.259 1.53 . . . . 0.0 110.072 160.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.73 36.61 18.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.459 1.504 . . . . 0.0 113.473 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.65 168.28 13.44 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.49 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -28.11 -49.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.27 -29.04 57.29 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.293 -1.504 . . . . 0.0 114.273 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -94.62 7.96 43.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.628 2.771 . . . . 0.0 113.188 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.51 -9.49 58.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.725 -1.235 . . . . 0.0 113.514 -170.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -45.0 -27.87 0.6 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.173 1.389 . . . . 0.0 113.845 -176.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -49.29 -71.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.808 1.643 . . . . 0.0 113.467 163.123 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.476 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.1 mm? -67.67 -36.62 81.05 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.531 2.332 . . . . 0.0 109.698 -172.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -48.96 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 129.944 3.297 . . . . 0.0 111.306 166.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.88 -41.38 62.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 117.554 -1.659 . . . . 0.0 107.927 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.57 -34.29 76.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.332 1.853 . . . . 0.0 114.396 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.4 pt -80.22 -28.45 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.317 0.962 . . . . 0.0 112.737 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -72.45 -32.92 66.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.566 0.746 . . . . 0.0 112.582 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -81.69 -173.43 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.059 1.343 . . . . 0.0 113.653 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -64.56 -28.64 69.78 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -170.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -148.08 148.15 30.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.431 1.092 . . . . 0.0 112.471 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.97 73.84 1.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.565 1.946 . . . . 0.0 112.376 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 55.8 t80 -60.25 -30.39 69.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -165.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.06 -41.52 7.7 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.444 -1.41 . . . . 0.0 113.353 168.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.01 -39.72 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.252 -0.905 . . . . 0.0 111.489 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.78 -39.32 68.29 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.687 -0.633 . . . . 0.0 110.478 170.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mt -64.45 -46.98 80.76 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 117.195 -1.383 . . . . 0.0 110.788 173.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.4 tp -51.59 -56.12 15.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.409 1.459 . . . . 0.0 111.642 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -67.08 -38.89 86.52 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 121.381 0.61 . . . . 0.0 111.804 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -60.06 -44.79 94.47 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.565 0.697 . . . . 0.0 110.96 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.93 -55.49 14.37 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.869 2.068 . . . . 0.0 110.741 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.64 -43.15 82.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.882 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.49 -29.16 64.5 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 118.574 -1.25 . . . . 0.0 113.643 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.06 -23.18 63.04 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.191 -0.943 . . . . 0.0 111.532 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.55 -46.52 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 120.909 -1.119 . . . . 0.0 109.955 172.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -66.57 -47.83 71.56 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.256 1.022 . . . . 0.0 113.705 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -121.75 -28.93 4.43 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.304 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.93 -19.79 75.61 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 113.598 171.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 56.97 45.06 21.87 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.533 1.933 . . . . 0.0 114.048 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -57.48 143.32 41.03 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.277 -0.889 . . . . 0.0 110.277 160.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -144.25 122.05 11.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.262 1.025 . . . . 0.0 111.844 -174.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -164.43 171.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 127.607 2.363 . . . . 0.0 108.922 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.27 -170.77 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.353 1.861 . . . . 0.0 113.524 162.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.6 -6.38 0.47 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 117.458 1.743 . . . . 0.0 117.458 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -47.93 -64.41 0.8 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.913 1.856 . . . . 0.0 111.504 169.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 t -66.69 -36.64 82.99 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.888 -1.132 . . . . 0.0 113.094 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -52.22 -56.17 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.677 1.191 . . . . 0.0 110.209 170.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.51 -45.12 94.96 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-O 116.705 -1.617 . . . . 0.0 112.47 -178.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -51.81 -53.24 42.35 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.004 1.729 . . . . 0.0 111.768 171.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.25 -18.02 43.93 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 119.908 -1.745 . . . . 0.0 115.011 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -89.07 -26.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.592 0.633 . . . . 0.0 112.027 169.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.7 t -67.7 -30.01 69.41 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.508 -1.37 . . . . 0.0 112.089 171.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.93 -57.05 4.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.151 167.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -36.7 77.7 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.651 0.659 . . . . 0.0 112.072 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.0 -19.73 5.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -123.43 -26.63 4.21 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 162.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -65.39 -45.38 84.22 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.743 1.611 . . . . 0.0 112.987 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.9 -37.51 64.64 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.906 -1.121 . . . . 0.0 112.159 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.42 -60.5 1.82 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -102.67 -37.12 8.06 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -157.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.704 2.002 . . . . 0.0 112.211 -177.169 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -75.33 168.9 19.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.889 1.276 . . . . 0.0 113.119 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -139.47 165.86 26.1 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.408 1.483 . . . . 0.0 111.845 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 151.58 47.06 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 112.343 176.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -139.59 145.9 39.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.387 1.475 . . . . 0.0 110.98 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.08 8.79 11.64 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.437 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 56.2 m 50.87 -92.02 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.204 2.202 . . . . 0.0 114.269 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.83 95.46 3.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.991 1.723 . . . . 0.0 110.398 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -76.13 -34.42 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.97 0.908 . . . . 0.0 110.89 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.31 7.65 56.95 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.858 1.218 . . . . 0.0 113.957 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -139.65 -65.9 0.46 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.836 1.654 . . . . 0.0 110.511 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER 47.85 35.65 5.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.45 1.9 . . . . 0.0 114.441 -177.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -63.8 171.88 2.51 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 126.27 1.828 . . . . 0.0 112.467 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -39.66 -41.26 1.04 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.169 2.285 . . . . 0.0 117.169 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.15 -33.61 43.94 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.407 -1.433 . . . . 0.0 113.787 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.8 11.14 25.71 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.332 2.253 . . . . 0.0 113.052 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.2 -10.34 58.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.879 1.672 . . . . 0.0 114.353 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -41.92 -33.42 0.54 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.005 1.722 . . . . 0.0 113.676 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.437 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 1.3 tptp -48.55 -69.69 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.349 1.86 . . . . 0.0 113.029 165.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.41 -37.31 82.89 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.417 1.887 . . . . 0.0 109.843 -173.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.94 -51.8 62.66 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 125.065 1.346 . . . . 0.0 108.561 169.191 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -68.74 -44.82 73.0 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -165.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.92 -37.48 68.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 128.187 2.595 . . . . 0.0 115.409 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -81.34 -27.26 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.348 0.976 . . . . 0.0 112.791 172.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -76.4 -31.66 58.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.409 1.083 . . . . 0.0 112.702 -176.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.4 pt -76.17 -176.43 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.981 1.312 . . . . 0.0 113.37 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -61.21 -28.88 69.46 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -150.38 144.03 25.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.512 1.125 . . . . 0.0 112.008 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.0 146.22 55.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.277 1.031 . . . . 0.0 111.939 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 46.3 t80 -142.21 -36.05 0.42 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -160.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.21 -45.04 5.51 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.051 1.341 . . . . 0.0 113.068 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.23 -40.2 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.506 1.122 . . . . 0.0 112.094 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.16 -43.39 67.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 171.095 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.89 -47.34 85.41 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.377 174.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 tp -52.0 -56.35 14.83 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.842 1.201 . . . . 0.0 112.112 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -68.36 -38.66 81.63 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.913 0.778 . . . . 0.0 111.464 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 t -61.28 -43.93 98.07 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.522 0.677 . . . . 0.0 110.718 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.29 -56.39 12.98 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.341 1.856 . . . . 0.0 110.763 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.77 -43.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.097 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.91 -29.27 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -69.88 -24.82 63.47 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.502 1.046 . . . . 0.0 111.139 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.1 -46.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.918 -1.113 . . . . 0.0 110.139 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.4 -46.48 69.88 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -172.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.6 t -120.62 -30.67 4.45 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.542 1.137 . . . . 0.0 113.192 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.81 -13.88 69.61 Favored Glycine 0 CA--C 1.541 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 114.248 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.307 74.4 p 52.46 39.91 28.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.36 2.264 . . . . 0.0 115.648 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -55.61 145.86 22.29 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.4 -0.813 . . . . 0.0 110.54 159.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -146.28 127.35 14.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.501 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.13 170.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 127.389 2.276 . . . . 0.0 109.009 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.17 -170.86 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.674 1.59 . . . . 0.0 111.822 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.67 -7.01 0.13 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 44.5 m -46.62 -67.63 0.26 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.723 1.762 . . . . 0.0 111.854 170.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -67.19 -35.25 79.25 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.096 -1.003 . . . . 0.0 113.021 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -52.31 -54.92 25.35 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 110.109 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -62.91 -42.81 99.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 124.748 1.219 . . . . 0.0 112.48 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -53.53 -53.01 57.67 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.467 1.485 . . . . 0.0 111.704 171.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.82 -20.33 39.3 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 119.68 -1.888 . . . . 0.0 114.838 -173.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 p -85.82 -26.36 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.68 0.673 . . . . 0.0 111.91 169.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.8 t -68.04 -32.8 73.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.584 -1.322 . . . . 0.0 111.356 171.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.68 -57.02 4.56 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.485 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -38.07 80.14 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.34 -18.0 9.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.326 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -121.86 -26.21 4.86 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 159.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.01 -47.52 82.75 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.381 1.901 . . . . 0.0 112.46 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -73.37 -35.82 65.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.303 1.441 . . . . 0.0 112.235 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -87.42 -60.48 1.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -176.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.06 -41.21 4.76 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -162.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -168.581 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -71.87 -17.43 62.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -151.0 171.93 16.51 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.693 1.597 . . . . 0.0 111.027 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.4 143.67 44.69 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.666 -0.646 . . . . 0.0 110.666 163.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 36.6 ttp180 -130.22 142.96 50.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.371 1.469 . . . . 0.0 110.821 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.4 mmt -124.66 73.41 1.26 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.78 0.8 . . . . 0.0 109.37 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.403 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 20.2 m -53.73 124.01 13.95 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.016 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.433 ' H ' ' HE2' ' A' ' 19' ' ' LYS 0.482 0.0 OUTLIER 35.69 67.54 0.28 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.284 3.434 . . . . 0.0 117.273 177.804 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mt -62.28 -30.29 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 169.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.09 5.03 57.44 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.089 0.852 . . . . 0.0 114.705 -167.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -140.83 -73.32 0.34 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.231 1.412 . . . . 0.0 111.233 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.11 47.29 19.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.764 2.026 . . . . 0.0 115.836 172.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -130.06 139.09 51.03 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -174.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.356 2.8 t 49.32 -84.15 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 129.819 3.247 . . . . 0.0 113.212 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 -29.11 70.22 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.226 1.01 . . . . 0.0 112.736 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -105.36 6.86 33.01 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 0.0 112.867 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.77 -15.03 61.07 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.94 -28.36 0.66 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HE2' ' H ' ' A' ' 8' ' ' LEU . 2.2 tptt -48.9 -70.67 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.107 1.763 . . . . 0.0 113.698 163.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.04 -34.69 76.96 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 126.302 1.841 . . . . 0.0 110.331 -174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.55 -47.87 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 128.909 2.884 . . . . 0.0 110.936 168.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.73 -39.88 63.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.016 -1.874 . . . . 0.0 108.364 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -64.44 -22.44 66.96 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -179.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -91.33 -27.16 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.94 1.245 . . . . 0.0 112.703 167.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.85 -29.51 65.66 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.069 0.947 . . . . 0.0 112.497 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.1 pt -81.97 -173.91 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.249 1.42 . . . . 0.0 113.494 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -60.45 -37.4 80.81 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.267 1.827 . . . . 0.0 115.731 -172.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -145.38 150.97 37.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 112.574 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.55 89.21 0.52 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.102 1.761 . . . . 0.0 112.575 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.55 -32.87 58.46 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -161.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.0 55.1 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.7 mm -74.42 -22.07 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 120.889 -1.132 . . . . 0.0 113.184 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.49 -41.9 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.632 -1.293 . . . . 0.0 110.177 171.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.38 -43.49 98.78 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.546 1.138 . . . . 0.0 111.093 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 48.4 tp -53.19 -51.58 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.153 1.342 . . . . 0.0 111.238 177.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 m -65.0 -43.69 91.72 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 119.172 0.896 . . . . 0.0 111.988 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.1 p -61.82 -38.74 89.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.248 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.18 -52.67 13.28 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 126.086 1.755 . . . . 0.0 111.422 -174.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.88 -42.27 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 121.609 -0.682 . . . . 0.0 110.933 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.92 -27.32 61.8 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 118.492 -1.283 . . . . 0.0 113.342 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -67.87 -22.73 65.1 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.021 -1.049 . . . . 0.0 111.71 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.14 -47.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.579 -1.325 . . . . 0.0 110.43 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.55 -47.42 75.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 0.0 113.508 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -118.6 -33.06 4.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.609 1.164 . . . . 0.0 112.868 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -19.33 71.88 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 121.184 -0.948 . . . . 0.0 113.739 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.78 41.62 21.35 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.629 1.972 . . . . 0.0 114.272 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.41 145.19 56.47 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.073 -1.017 . . . . 0.0 110.821 161.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -150.67 137.1 18.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.392 1.077 . . . . 0.0 112.423 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 53' ' ' THR . 3.0 p -163.42 164.87 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 127.203 2.201 . . . . 0.0 109.545 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.65 -22.83 64.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -163.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.06 -11.46 0.03 OUTLIER Glycine 0 N--CA 1.467 0.719 0 C-N-CA 124.818 1.199 . . . . 0.0 114.185 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -49.88 -58.2 5.89 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.819 1.248 . . . . 0.0 110.691 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.439 ' H ' HG12 ' A' ' 49' ' ' VAL . 9.9 t -65.49 -44.33 87.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.261 -0.899 . . . . 0.0 112.531 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -47.09 -53.17 13.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.97 0.908 . . . . 0.0 110.655 172.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.8 tptt -60.64 -43.6 97.37 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.666 1.586 . . . . 0.0 112.369 178.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -57.62 -52.07 66.92 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.704 1.593 . . . . 0.0 111.717 172.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -70.28 -34.42 72.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 119.605 -1.934 . . . . 0.0 111.553 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -78.83 -30.65 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.27 0.628 . . . . 0.0 112.548 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 t -71.94 -35.51 69.62 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.276 -1.515 . . . . 0.0 111.966 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -46.32 -59.73 2.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.458 1.103 . . . . 0.0 110.048 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -40.33 82.59 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.513 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.46 -15.17 24.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.547 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -112.09 -32.3 6.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 159.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -67.4 -44.87 77.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 121.583 1.992 . . . . 0.0 113.868 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -73.64 -31.0 63.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.868 1.267 . . . . 0.0 112.685 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -101.77 -65.07 1.0 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -92.93 -41.46 10.01 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -163.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.988 1.315 . . . . 0.0 113.141 -171.617 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -67.67 149.94 49.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.486 1.114 . . . . 0.0 113.133 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -74.83 167.3 22.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.212 1.005 . . . . 0.0 112.772 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 99.5 mmm -78.85 151.93 31.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.499 1.12 . . . . 0.0 111.865 167.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 17.1 ttp180 -129.23 152.77 48.44 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.427 1.891 . . . . 0.0 111.361 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -121.12 11.66 10.95 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.257 49.1 m 48.13 -90.97 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.218 2.207 . . . . 0.0 115.458 -178.241 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 90.67 2.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 121.699 2.045 . . . . 0.0 112.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -72.02 -31.2 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 110.894 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.67 4.79 65.31 Favored Glycine 0 CA--C 1.545 1.949 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.64 -63.76 0.61 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.556 1.178 . . . . 0.0 111.236 168.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.28 31.38 11.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -62.21 168.21 3.55 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 124.851 1.26 . . . . 0.0 111.543 175.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.1 t -33.66 -47.55 0.24 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -72.13 -34.32 68.48 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.392 -1.443 . . . . 0.0 113.724 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -94.71 11.9 29.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.358 2.663 . . . . 0.0 112.875 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.55 -9.4 59.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 113.465 -171.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.37 -27.47 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.103 1.361 . . . . 0.0 114.502 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.449 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.3 tptp -50.9 -69.47 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.639 1.575 . . . . 0.0 113.673 163.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.455 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.1 mm? -67.93 -39.01 83.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 127.505 2.322 . . . . 0.0 109.327 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.66 -49.86 26.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 130.084 3.354 . . . . 0.0 111.513 165.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.81 -43.76 57.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 118.107 -1.437 . . . . 0.0 108.608 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.08 -33.56 72.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.217 1.807 . . . . 0.0 114.058 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 pt -82.97 -28.65 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.65 -33.62 69.06 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 112.518 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 pt -77.53 -178.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 124.548 1.139 . . . . 0.0 113.522 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -63.79 -29.03 70.28 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 -167.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -147.86 156.56 42.83 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.426 1.09 . . . . 0.0 112.412 168.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -62.13 149.74 40.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.97 1.308 . . . . 0.0 112.147 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -137.4 -42.47 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -170.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.31 -43.37 0.79 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.918 1.687 . . . . 0.0 113.908 168.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.98 -39.84 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.284 1.034 . . . . 0.0 112.113 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.65 -38.75 75.62 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.238 -0.914 . . . . 0.0 110.19 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.03 -45.22 94.55 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.542 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.29 -53.79 32.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.767 1.621 . . . . 0.0 111.256 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.4 -39.7 95.21 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.336 1.065 . . . . 0.0 113.03 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -41.82 99.01 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.667 1.222 . . . . 0.0 111.446 177.084 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.58 -54.4 16.81 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.923 2.089 . . . . 0.0 110.558 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -58.5 -40.53 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 O-C-N 121.658 -0.651 . . . . 0.0 111.566 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -70.57 -27.1 63.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.082 175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -63.59 -31.39 72.54 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.601 1.091 . . . . 0.0 112.047 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -76.32 -51.81 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 120.333 -1.479 . . . . 0.0 110.515 169.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -66.72 -39.48 88.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.941 1.296 . . . . 0.0 113.797 -167.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -133.56 -23.14 1.87 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.609 1.164 . . . . 0.0 113.805 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.16 -21.69 73.95 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 119.656 1.117 . . . . 0.0 112.134 167.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 59.32 48.69 9.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.528 1.931 . . . . 0.0 112.797 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -51.56 131.62 29.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.598 -0.689 . . . . 0.0 109.834 163.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -139.53 33.34 2.05 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.483 1.513 . . . . 0.0 113.157 -167.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -89.48 170.72 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 127.403 2.281 . . . . 0.0 110.627 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.81 -170.38 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.753 2.021 . . . . 0.0 112.916 162.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.28 -7.4 0.36 Allowed Glycine 0 N--CA 1.472 1.062 0 N-CA-C 118.027 1.971 . . . . 0.0 118.027 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -47.51 -65.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.401 2.101 . . . . 0.0 111.688 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.3 t -68.08 -33.32 74.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.056 -1.027 . . . . 0.0 113.054 -175.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -55.41 -53.32 57.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.492 1.117 . . . . 0.0 110.24 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.3 tptt -60.5 -43.35 97.12 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 125.6 1.56 . . . . 0.0 111.997 -179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.52 -43.31 89.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.228 1.376 . . . . 0.0 112.236 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.31 -42.66 71.69 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.495 -1.378 . . . . 0.0 112.509 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 p -79.8 -29.16 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.205 0.602 . . . . 0.0 112.095 -179.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -70.54 -33.37 71.08 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.77 -1.207 . . . . 0.0 112.251 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -58.97 3.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.014 174.693 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -35.86 81.33 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.73 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -58.97 -18.89 38.18 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -114.68 -24.62 8.65 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 159.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -75.03 -48.73 22.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 122.071 2.214 . . . . 0.0 113.332 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -67.2 -30.88 70.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.993 1.317 . . . . 0.0 112.351 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -97.99 -61.01 1.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.12 -40.32 5.24 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -155.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.966 2.106 . . . . 0.0 111.889 -178.426 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -146.93 160.49 42.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.086 1.354 . . . . 0.0 111.767 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -155.2 174.52 15.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.723 1.609 . . . . 0.0 111.748 -174.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.75 148.49 36.67 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.061 0.945 . . . . 0.0 111.485 164.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -128.18 155.32 44.67 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.189 1.795 . . . . 0.0 111.046 177.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -123.63 10.68 9.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.471 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 68.7 m 48.71 -82.27 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.942 2.497 . . . . 0.0 116.272 -177.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.3 109.11 6.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 122.268 2.304 . . . . 0.0 113.468 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -88.66 -35.19 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.112 1.765 . . . . 0.0 111.835 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.62 -5.38 26.21 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.398 1.319 . . . . 0.0 116.398 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -139.88 -44.07 0.43 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.491 1.645 . . . . 0.0 111.535 167.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.32 40.2 10.19 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.171 2.188 . . . . 0.0 115.183 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.17 171.05 15.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.072 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -24.46 -52.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.92 -22.31 42.88 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.154 -1.591 . . . . 0.0 114.149 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -100.38 8.68 43.48 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.242 3.017 . . . . 0.0 112.945 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -75.52 -12.39 60.22 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.787 -1.195 . . . . 0.0 113.629 -170.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.41 -28.29 0.54 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.558 1.543 . . . . 0.0 114.106 -172.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.471 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -50.89 -71.29 0.07 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.87 1.668 . . . . 0.0 113.676 163.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -66.63 -35.15 79.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.028 2.131 . . . . 0.0 109.747 -173.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.08 -48.05 64.88 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 129.462 3.105 . . . . 0.0 111.574 167.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -73.34 -40.56 64.35 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.651 -1.62 . . . . 0.0 108.825 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -66.58 -18.13 65.2 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.414 1.885 . . . . 0.0 114.943 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -95.38 -27.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.027 0.931 . . . . 0.0 113.134 165.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.37 -29.92 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.379 1.072 . . . . 0.0 112.377 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 pt -82.8 -174.36 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.243 1.417 . . . . 0.0 113.519 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -65.51 -29.18 69.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -150.0 158.32 44.04 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.428 1.013 . . . . 0.0 113.331 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.82 98.28 0.53 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.45 1.5 . . . . 0.0 112.11 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 68.2 t80 -86.0 -34.3 20.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -163.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -42.47 -35.11 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.055 2.142 . . . . 0.0 114.715 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.48 -35.03 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 O-C-N 121.239 -0.913 . . . . 0.0 112.255 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.87 -42.95 85.6 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 120.641 -1.287 . . . . 0.0 110.032 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.75 -51.16 70.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.499 -1.239 . . . . 0.0 109.679 172.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -49.35 -55.42 12.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.699 1.136 . . . . 0.0 111.959 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -66.43 -41.65 88.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.601 0.637 . . . . 0.0 111.58 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -42.12 93.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.273 1.035 . . . . 0.0 110.773 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -73.04 -52.26 15.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.02 1.728 . . . . 0.0 110.737 -172.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.24 -40.75 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.9 . . . . 0.0 111.637 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.07 -26.8 62.31 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.854 -1.138 . . . . 0.0 113.267 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -66.45 -23.93 66.35 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.541 1.064 . . . . 0.0 111.79 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.09 -50.74 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 120.463 -1.398 . . . . 0.0 110.329 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.79 -45.87 80.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.159 0.983 . . . . 0.0 113.608 -170.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -118.32 -31.31 5.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.545 1.138 . . . . 0.0 112.993 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.41 -15.8 75.25 Favored Glycine 0 CA--C 1.54 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 114.14 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.309 77.2 p 54.11 44.49 29.14 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.037 2.135 . . . . 0.0 115.282 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.48 139.57 57.96 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.534 -0.728 . . . . 0.0 110.6 159.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -150.45 137.73 19.51 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.717 1.607 . . . . 0.0 110.297 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.521 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -164.84 161.66 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 126.281 1.832 . . . . 0.0 110.221 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -77.05 65.57 2.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.614 2.366 . . . . 0.0 115.157 -168.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.93 -12.14 62.75 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 127.652 2.548 . . . . 0.0 115.026 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.6 m -59.88 -58.5 8.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.232 1.516 . . . . 0.0 110.063 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.521 ' H ' HG13 ' A' ' 49' ' ' VAL . 10.9 t -64.29 -38.66 91.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.122 -0.986 . . . . 0.0 113.217 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -50.21 -56.52 10.75 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.091 0.956 . . . . 0.0 110.21 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -60.85 -43.9 97.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 124.94 1.296 . . . . 0.0 112.845 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -60.93 -44.84 96.64 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.918 1.69 . . . . 0.0 112.247 177.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -81.23 -26.47 35.84 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 119.921 -1.737 . . . . 0.0 113.695 -178.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.2 p -77.87 -29.03 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 119.297 0.953 . . . . 0.0 111.832 170.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 3.4 t -72.49 -32.97 66.62 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.307 -1.496 . . . . 0.0 112.32 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.87 -55.83 6.18 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.094 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -40.31 78.36 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.72 -15.99 14.55 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.641 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -111.22 -36.57 5.56 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 160.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.909 1.686 . . . . 0.0 112.855 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -73.59 -34.17 64.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.675 1.59 . . . . 0.0 112.273 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.13 -63.16 1.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -87.17 -44.26 11.62 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -164.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.405 1.482 . . . . 0.0 113.088 -171.323 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p -77.92 158.86 29.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.754 1.222 . . . . 0.0 113.1 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -79.97 156.94 26.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.74 31.25 6.85 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.821 1.248 . . . . 0.0 113.032 156.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.41 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 51.5 ttp180 -57.79 149.89 21.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.146 2.579 . . . . 0.0 112.519 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -126.61 59.58 1.36 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.722 0.772 . . . . 0.0 112.354 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.407 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 70.1 m -66.66 109.16 2.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.24 176.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -130.38 139.05 50.66 Favored 'General case' 0 CA--C 1.536 0.412 1 C-N-CA 135.814 5.645 . . . . 0.0 107.003 -6.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -89.94 -30.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.393 0.677 . . . . 0.0 112.46 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.98 6.85 63.04 Favored Glycine 0 CA--C 1.545 1.908 0 C-N-CA 124.498 1.047 . . . . 0.0 114.383 -171.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.53 -65.41 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.441 1.496 . . . . 0.0 110.604 167.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.42 34.09 17.38 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.379 1.472 . . . . 0.0 114.017 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.45 166.99 2.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.156 1.782 . . . . 0.0 111.723 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -37.67 -43.0 0.6 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -173.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -31.95 51.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.21 -1.556 . . . . 0.0 113.79 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -91.39 8.49 35.97 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.941 2.496 . . . . 0.0 113.113 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.17 -10.77 59.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 113.879 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.45 -28.91 0.62 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.231 1.412 . . . . 0.0 114.213 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.41 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.7 tptt -48.29 -70.34 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.568 1.547 . . . . 0.0 112.338 164.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.465 ' H ' HD21 ' B' ' 20' ' ' LEU . 2.0 mm? -68.6 -36.92 79.35 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.741 2.416 . . . . 0.0 110.107 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -52.21 66.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.132 1.373 . . . . 0.0 108.433 169.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -38.83 69.85 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 115.905 -2.318 . . . . 0.0 106.618 -164.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -54.75 -34.76 62.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.117 2.167 . . . . 0.0 116.201 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.4 pt -81.44 -27.19 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 121.909 2.14 . . . . 0.0 112.654 169.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -78.72 -31.61 46.48 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.43 1.092 . . . . 0.0 113.178 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.6 pt -77.74 -169.05 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 125.036 1.334 . . . . 0.0 113.38 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -49.2 -42.89 41.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.628 2.371 . . . . 0.0 114.782 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -155.03 161.48 41.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.428 1.491 . . . . 0.0 111.846 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.15 144.39 45.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.349 1.06 . . . . 0.0 111.924 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -140.35 -32.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -167.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.03 -40.22 60.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.546 1.521 . . . . 0.0 112.255 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.4 -40.36 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.388 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -59.23 -41.11 87.91 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.364 -0.835 . . . . 0.0 110.742 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.42 -40.77 96.41 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 116.353 -1.784 . . . . 0.0 111.592 171.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.9 tp -54.29 -55.43 28.39 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 121.187 1.812 . . . . 0.0 111.081 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.0 t -66.54 -37.39 84.88 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 121.879 0.847 . . . . 0.0 111.904 -176.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t -61.28 -45.51 94.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.638 0.732 . . . . 0.0 110.729 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.32 -50.25 41.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.822 2.049 . . . . 0.0 111.838 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.1 -40.74 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 121.503 -0.748 . . . . 0.0 111.188 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.69 -25.18 61.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 118.681 -1.208 . . . . 0.0 113.966 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.26 -28.62 70.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.274 0.943 . . . . 0.0 111.459 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.95 -51.58 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.706 -1.246 . . . . 0.0 110.824 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.78 -39.01 92.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.658 1.183 . . . . 0.0 113.547 -168.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -127.67 -32.47 2.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.67 1.188 . . . . 0.0 113.647 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.36 -22.22 72.8 Favored Glycine 0 CA--C 1.535 1.33 0 O-C-N 121.0 -1.062 . . . . 0.0 113.01 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m 54.41 47.36 23.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.334 1.854 . . . . 0.0 112.806 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.86 -66.07 0.28 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.569 2.348 . . . . 0.0 113.721 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 50.03 46.64 24.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.474 2.31 . . . . 0.0 114.964 164.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.14 -163.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.251 1.02 . . . . 0.0 110.458 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.95 -178.69 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 162.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.35 -7.14 0.79 Allowed Glycine 0 N--CA 1.471 1.0 0 O-C-N 119.929 -1.732 . . . . 0.0 117.395 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -46.92 -64.06 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.662 2.231 . . . . 0.0 111.81 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.4 t -66.23 -35.25 79.93 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.976 -1.078 . . . . 0.0 112.617 -174.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -56.26 -55.47 32.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.045 1.338 . . . . 0.0 110.688 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 24.3 tptt -60.93 -43.36 98.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 125.833 1.653 . . . . 0.0 112.295 -178.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -56.69 -44.93 81.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.359 1.436 . . . . 0.0 111.834 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.98 -39.26 72.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 119.74 -1.85 . . . . 0.0 113.243 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p -82.68 -25.22 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.972 0.509 . . . . 0.0 112.167 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.758 -1.214 . . . . 0.0 112.024 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.89 -59.26 2.92 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.457 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -37.76 84.39 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.87 -24.37 15.72 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 118.147 -0.93 . . . . 0.0 112.435 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -117.24 -27.87 6.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 166.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -66.37 -43.89 84.66 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 121.184 1.811 . . . . 0.0 112.982 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -75.28 -33.9 61.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.338 1.055 . . . . 0.0 112.467 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.47 -63.2 1.15 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -99.75 -42.7 6.73 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -160.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.355 1.862 . . . . 0.0 113.19 -175.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -67.59 157.66 33.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.749 1.219 . . . . 0.0 113.389 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -140.94 167.44 22.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.198 1.399 . . . . 0.0 111.527 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.4 mtm -73.95 76.23 1.67 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.859 1.264 . . . . 0.0 111.402 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.6 ttp180 -62.18 151.31 36.34 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.515 1.126 . . . . 0.0 110.781 172.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -117.87 9.56 12.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.508 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 71.9 m 44.86 -88.02 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.162 2.585 . . . . 0.0 115.266 -176.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -126.97 90.39 3.14 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 121.04 1.746 . . . . 0.0 110.608 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.7 -39.36 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.516 -0.74 . . . . 0.0 110.45 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.72 6.78 54.28 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 124.598 1.094 . . . . 0.0 113.992 -169.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.87 -64.36 0.48 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.275 1.43 . . . . 0.0 110.621 168.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.05 34.11 16.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.436 1.494 . . . . 0.0 114.282 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 165.07 6.68 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.258 1.423 . . . . 0.0 111.218 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -32.99 -45.15 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.718 2.488 . . . . 0.0 117.718 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.67 -32.08 60.01 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.097 -1.627 . . . . 0.0 113.812 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -93.36 4.75 53.46 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.195 2.598 . . . . 0.0 113.102 174.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.7 -10.88 60.05 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.474 1.51 . . . . 0.0 114.293 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -43.5 -28.06 0.33 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.037 1.735 . . . . 0.0 114.834 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.5 tptp -50.64 -69.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.983 1.713 . . . . 0.0 112.734 163.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.13 -36.78 77.83 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.866 2.466 . . . . 0.0 109.555 -173.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -51.8 66.09 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.292 1.437 . . . . 0.0 108.362 168.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.2 tp -69.54 -46.12 67.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 117.114 -1.835 . . . . 0.0 106.616 -164.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -50.66 -42.69 56.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.997 2.519 . . . . 0.0 115.2 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -77.38 -28.07 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 119.716 1.144 . . . . 0.0 112.237 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -76.25 -30.86 58.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.986 0.915 . . . . 0.0 112.629 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.49 HG13 ' H ' ' A' ' 27' ' ' ASN . 10.5 pt -68.64 -59.42 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.49 ' H ' HG13 ' A' ' 26' ' ' ILE . 70.1 m-80 -143.68 8.92 1.54 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.395 1.878 . . . . 0.0 112.28 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 55.62 60.55 3.26 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.38 1.872 . . . . 0.0 113.765 -167.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -138.14 -167.34 2.14 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.538 1.535 . . . . 0.0 111.754 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.255 0.2 OUTLIER 67.73 -164.12 0.21 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 160.545 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 47.49 -48.73 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.362 3.065 . . . . 0.0 116.097 -141.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mm -69.56 -27.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 126.156 1.782 . . . . 0.0 113.372 -175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -44.68 78.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.911 0.862 . . . . 0.0 109.13 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.92 -45.98 86.84 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 117.179 -1.391 . . . . 0.0 110.473 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -50.89 -55.89 14.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.029 1.286 . . . . 0.0 112.18 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -66.52 -39.4 88.63 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 118.788 0.722 . . . . 0.0 111.626 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 t -61.03 -44.66 97.07 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.79 0.805 . . . . 0.0 110.918 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -66.04 -54.57 24.18 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.494 1.917 . . . . 0.0 110.855 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.95 -40.84 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 O-C-N 121.827 -0.546 . . . . 0.0 111.63 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.66 -27.33 63.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.118 174.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.84 -25.14 65.4 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.731 1.151 . . . . 0.0 111.824 172.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -82.06 -48.59 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.479 -1.388 . . . . 0.0 110.222 170.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.4 -45.72 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -171.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -118.56 -31.97 4.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.579 1.152 . . . . 0.0 113.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.08 -19.08 71.62 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.976 -1.078 . . . . 0.0 113.286 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 59.17 39.65 22.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.47 1.908 . . . . 0.0 113.803 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -66.81 135.78 54.45 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.155 -0.965 . . . . 0.0 110.254 162.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -161.86 121.66 2.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.856 1.262 . . . . 0.0 110.626 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.01 -160.6 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.937 1.695 . . . . 0.0 110.226 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -56.33 -175.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.986 1.714 . . . . 0.0 113.905 163.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.68 -6.83 0.8 Allowed Glycine 0 N--CA 1.472 1.079 0 N-CA-C 117.22 1.648 . . . . 0.0 117.22 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -48.03 -64.04 0.9 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.977 1.889 . . . . 0.0 111.432 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 t -66.7 -37.28 84.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.041 -1.037 . . . . 0.0 112.964 -174.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.24 -56.34 13.42 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.914 1.286 . . . . 0.0 110.43 169.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -62.76 -42.64 99.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.348 1.459 . . . . 0.0 113.321 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -54.38 -51.85 63.51 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.74 1.609 . . . . 0.0 111.086 170.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.01 -36.28 74.99 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.136 -1.602 . . . . 0.0 112.619 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.2 p -82.24 -26.75 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.289 0.635 . . . . 0.0 112.259 177.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.6 t -69.84 -33.74 72.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.689 -1.257 . . . . 0.0 112.163 174.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.83 -56.68 5.08 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.57 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -37.3 73.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.218 -0.42 . . . . 0.0 112.108 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.81 -18.32 12.44 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.465 -0.779 . . . . 0.0 112.872 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -121.5 -23.34 5.65 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 161.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -65.3 -50.53 65.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 122.021 2.191 . . . . 0.0 112.731 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.74 -34.1 73.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.873 1.269 . . . . 0.0 112.246 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -86.5 -58.86 2.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.547 1.939 . . . . 0.0 115.736 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.11 -42.64 3.04 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -159.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.828 2.051 . . . . 0.0 112.503 -174.426 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 m -141.82 151.73 43.04 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.2 1.4 . . . . 0.0 111.796 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -75.56 162.68 28.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.568 0.747 . . . . 0.0 112.883 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.44 153.94 37.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.878 1.271 . . . . 0.0 112.292 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -142.77 149.1 38.26 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.21 175.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 91.5 mmm -120.74 10.77 11.04 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.457 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 67.4 m 48.57 -93.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.239 2.216 . . . . 0.0 114.982 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.7 90.35 2.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 121.393 1.906 . . . . 0.0 110.59 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -70.46 -31.6 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 111.051 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.97 8.47 60.39 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.107 0.86 . . . . 0.0 113.581 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.26 -63.64 0.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.953 1.701 . . . . 0.0 110.969 172.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.66 41.21 25.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.829 2.052 . . . . 0.0 114.402 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.77 107.39 19.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.225 -0.922 . . . . 0.0 113.437 -158.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.6 t 50.4 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.75 2.82 . . . . 0.0 115.153 176.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.21 -32.34 72.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.792 1.237 . . . . 0.0 112.637 165.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -102.81 9.52 38.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.188 0.995 . . . . 0.0 112.453 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.44 -9.16 39.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -45.18 -29.35 0.93 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 120.194 1.361 . . . . 0.0 114.331 -175.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.0 tptp -48.28 -68.46 0.18 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.873 1.669 . . . . 0.0 113.374 164.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.434 HD23 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.91 -36.77 78.41 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.64 2.376 . . . . 0.0 109.584 -172.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.84 -48.27 64.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 129.169 2.988 . . . . 0.0 111.311 167.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.32 -44.47 58.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 118.607 -1.237 . . . . 0.0 107.911 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -60.4 -29.24 68.84 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.917 2.087 . . . . 0.0 115.257 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.52 -27.96 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 170.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.22 -30.21 64.7 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.907 0.883 . . . . 0.0 112.742 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.33 -175.48 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.304 1.441 . . . . 0.0 113.397 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.7 -28.96 64.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -170.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.16 139.45 48.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.39 1.476 . . . . 0.0 113.027 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.73 81.93 2.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.281 1.433 . . . . 0.0 111.663 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 38.8 t80 -73.61 -33.27 64.51 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -159.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.2 -41.95 13.48 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.201 1.401 . . . . 0.0 113.316 171.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.87 -40.69 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.973 0.909 . . . . 0.0 112.162 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.47 -38.55 74.71 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.503 -0.748 . . . . 0.0 110.276 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.54 -42.68 95.58 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 117.381 -1.295 . . . . 0.0 110.664 174.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.1 tp -54.88 -56.97 13.7 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.093 1.315 . . . . 0.0 111.721 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -66.97 -37.01 83.47 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.066 0.936 . . . . 0.0 112.038 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -62.56 -44.47 96.26 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.688 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.17 -53.19 40.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.752 1.621 . . . . 0.0 111.283 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.41 -40.23 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.748 -0.595 . . . . 0.0 111.559 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.19 -26.01 62.77 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 118.617 -1.233 . . . . 0.0 113.5 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.12 -32.02 73.3 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.965 -1.084 . . . . 0.0 111.511 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.88 -51.22 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.152 -1.592 . . . . 0.0 110.32 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -68.41 -40.41 81.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -167.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -127.98 -26.94 2.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.875 1.27 . . . . 0.0 113.485 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -21.76 75.07 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 112.779 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.95 45.05 15.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.321 1.848 . . . . 0.0 113.113 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.01 135.87 48.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.788 1.235 . . . . 0.0 110.368 166.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -152.08 115.07 4.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.531 1.132 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.461 HG12 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.93 163.12 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.318 1.847 . . . . 0.0 109.46 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -77.05 62.85 2.24 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.863 2.465 . . . . 0.0 114.473 -168.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 -7.71 68.25 Favored Glycine 0 N--CA 1.468 0.8 0 C-N-CA 127.318 2.389 . . . . 0.0 114.895 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 74.2 m -60.84 -61.51 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.019 1.909 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.461 ' H ' HG12 ' B' ' 49' ' ' VAL . 7.3 t -60.98 -36.75 80.26 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.92 -1.113 . . . . 0.0 113.13 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -54.31 -56.76 15.32 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.664 1.186 . . . . 0.0 110.518 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -59.87 -45.05 93.69 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.447 1.499 . . . . 0.0 112.766 -178.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -54.03 -46.8 71.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 120.749 1.613 . . . . 0.0 111.831 172.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -70.75 -38.14 73.48 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.262 -1.524 . . . . 0.0 113.297 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -84.81 -23.8 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -70.62 -34.65 72.33 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.832 -1.167 . . . . 0.0 111.398 171.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.03 3.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.633 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -36.98 84.65 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.148 0.431 . . . . 0.0 111.877 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -56.45 -18.92 12.83 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -122.04 -27.8 4.52 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 159.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -63.17 -46.92 84.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.943 1.701 . . . . 0.0 113.007 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -72.67 -38.3 67.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.414 1.086 . . . . 0.0 112.246 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -86.9 -56.0 3.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.69 -35.4 4.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -157.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.442 1.897 . . . . 0.0 112.607 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m 52.36 44.13 30.15 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.382 1.473 . . . . 0.0 113.903 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -66.65 113.6 4.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.981 1.312 . . . . 0.0 112.064 -171.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt -87.0 169.16 12.67 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 110.785 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -126.45 138.46 53.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.008 0.923 . . . . 0.0 112.397 179.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.1 mmm -125.84 67.37 1.18 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.98 0.8 . . . . 0.0 109.868 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.402 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 34.5 m -48.82 115.07 1.13 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.963 0.887 . . . . 0.0 113.361 -171.321 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.293 1.7 mt 50.19 75.64 0.17 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 130.138 3.375 . . . . 0.0 113.8 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -67.51 -32.46 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.271 170.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.48 0.63 56.73 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.838 1.685 . . . . 0.0 114.791 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -135.45 -58.11 0.79 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.539 1.17 . . . . 0.0 110.174 168.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 41.65 24.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 114.589 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.15 100.99 13.71 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.115 0.966 . . . . 0.0 113.307 -161.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.317 4.5 t 52.83 -69.44 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 128.898 2.879 . . . . 0.0 115.585 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.71 -28.28 68.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.658 -1.276 . . . . 0.0 112.253 165.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -101.07 6.62 43.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.382 1.073 . . . . 0.0 111.849 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.4 -9.3 55.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -43.6 -31.26 0.72 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 120.62 1.554 . . . . 0.0 114.688 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HE2' ' HA ' ' A' ' 7' ' ' SER . 1.2 tptt -49.95 -66.42 0.4 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.413 1.485 . . . . 0.0 112.447 167.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.77 -37.05 73.33 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.539 2.336 . . . . 0.0 109.771 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.24 -51.58 66.14 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.731 1.212 . . . . 0.0 108.853 169.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.72 -45.13 72.34 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -164.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -54.51 -45.3 73.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.536 2.334 . . . . 0.0 115.247 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 pt -74.58 -26.48 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.696 1.589 . . . . 0.0 112.332 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 tp -76.82 -32.78 57.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.117 0.967 . . . . 0.0 112.633 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.96 -168.41 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 124.846 1.259 . . . . 0.0 113.026 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -50.83 -40.3 55.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.926 2.09 . . . . 0.0 114.884 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -155.55 154.31 31.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.645 1.178 . . . . 0.0 112.724 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.29 70.36 0.16 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.837 2.455 . . . . 0.0 113.489 -172.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.51 -26.64 68.05 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -162.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.03 27.2 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.132 0.878 . . . . 0.0 112.496 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 24.2 mm -74.64 -30.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.71 -41.24 97.34 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.126 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.99 -47.35 85.5 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.264 -1.35 . . . . 0.0 111.91 169.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 tt -49.35 -54.9 14.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.941 1.246 . . . . 0.0 110.988 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 57.7 p -64.0 -38.63 91.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 119.176 0.898 . . . . 0.0 112.644 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -63.48 -42.66 98.57 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 122.649 1.214 . . . . 0.0 109.921 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.02 -53.44 20.47 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.873 2.469 . . . . 0.0 110.737 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.52 -43.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.88 -0.512 . . . . 0.0 111.0 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.94 -28.22 63.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.218 -0.993 . . . . 0.0 113.31 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.47 -31.2 71.8 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.336 0.971 . . . . 0.0 110.358 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.94 -43.84 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 120.933 -1.104 . . . . 0.0 110.342 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.09 -50.19 56.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.315 1.046 . . . . 0.0 113.822 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -120.24 -29.35 4.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.579 1.152 . . . . 0.0 113.224 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.53 -20.0 73.36 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 113.618 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.08 45.71 20.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.742 2.017 . . . . 0.0 113.827 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -58.72 149.59 25.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.186 0.994 . . . . 0.0 110.944 165.355 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.59 117.35 10.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.272 1.029 . . . . 0.0 111.384 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -160.74 167.25 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.659 1.984 . . . . 0.0 109.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -64.07 -170.58 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.297 1.839 . . . . 0.0 112.013 167.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.41 -6.3 0.27 Allowed Glycine 0 N--CA 1.472 1.097 0 N-CA-C 118.032 1.973 . . . . 0.0 118.032 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.9 m -46.11 -66.75 0.36 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.82 1.81 . . . . 0.0 111.72 170.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -67.19 -36.47 81.83 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.35 -0.844 . . . . 0.0 112.72 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -52.73 -53.32 49.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.816 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -64.74 -44.0 91.54 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 125.009 1.324 . . . . 0.0 112.301 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -52.62 -50.53 62.93 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.349 1.431 . . . . 0.0 110.889 168.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.09 -36.72 77.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 119.839 -1.788 . . . . 0.0 113.022 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.0 p -84.2 -27.25 7.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.528 0.731 . . . . 0.0 112.148 178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.5 t -71.34 -34.26 70.35 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.739 -1.226 . . . . 0.0 112.181 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.98 -60.3 2.34 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.258 1.423 . . . . 0.0 109.793 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -36.67 74.79 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.684 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.32 -20.8 20.63 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.683 -0.675 . . . . 0.0 112.578 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' HG3' HH11 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -114.09 -31.87 6.21 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 167.225 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.7 -55.25 18.38 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.306 0.957 . . . . 0.0 113.46 177.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -68.37 -34.51 76.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.974 1.31 . . . . 0.0 112.267 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.43 -59.34 2.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 115.448 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -106.35 -47.21 3.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -161.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.533 1.933 . . . . 0.0 112.926 -171.884 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 52.67 40.66 30.63 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.494 1.518 . . . . 0.0 115.077 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -67.51 162.31 23.55 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.99 0.916 . . . . 0.0 111.749 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.47 114.2 7.48 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.05 -1.031 . . . . 0.0 109.103 165.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.434 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 36.5 ttp180 -100.92 142.47 32.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -121.22 67.05 0.87 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.571 0.7 . . . . 0.0 109.605 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 57.5 m -50.45 114.01 1.02 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.052 0.929 . . . . 0.0 112.759 -172.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt 51.58 73.42 0.31 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.175 2.99 . . . . 0.0 113.987 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.92 -31.75 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.464 1.106 . . . . 0.0 111.467 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.79 2.4 56.23 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.952 1.739 . . . . 0.0 114.854 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.96 -55.04 0.66 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.722 1.209 . . . . 0.0 110.869 168.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.75 39.31 31.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 114.515 176.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.81 108.0 20.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -159.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.333 5.0 t 50.78 -72.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.961 2.905 . . . . 0.0 115.703 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.58 -29.89 71.08 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.662 -1.274 . . . . 0.0 112.092 166.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -99.5 5.0 46.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.847 1.659 . . . . 0.0 111.985 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.96 -8.54 45.54 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -45.41 -28.29 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 121.011 1.732 . . . . 0.0 114.903 -174.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.434 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.5 OUTLIER -51.92 -67.64 0.23 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.019 1.728 . . . . 0.0 113.584 165.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.461 HD23 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -70.58 -35.28 72.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.725 2.41 . . . . 0.0 109.745 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -49.86 54.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.029 2.932 . . . . 0.0 111.342 165.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -73.48 -40.53 64.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 117.049 -1.86 . . . . 0.0 108.813 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -63.54 -15.02 56.82 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.135 2.174 . . . . 0.0 116.242 178.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -101.42 -26.39 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.859 1.209 . . . . 0.0 113.183 164.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.39 -29.96 62.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.474 1.109 . . . . 0.0 113.064 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -76.45 -178.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.424 1.09 . . . . 0.0 113.683 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -62.17 -25.0 67.51 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -139.68 153.8 47.35 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.949 1.3 . . . . 0.0 112.685 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -72.16 129.51 38.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.588 0.755 . . . . 0.0 111.791 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -118.61 -145.46 0.38 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.945 1.298 . . . . 0.0 111.789 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 48.64 -44.41 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.736 3.214 . . . . 0.0 117.015 -153.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -77.51 -30.06 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.111 1.364 . . . . 0.0 113.154 -164.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.35 -40.4 82.09 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.241 -0.912 . . . . 0.0 110.152 169.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.78 -46.77 88.12 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.618 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 4.8 tt -47.11 -55.81 7.7 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.135 1.334 . . . . 0.0 111.386 176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -64.4 -40.98 96.85 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.317 0.962 . . . . 0.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.97 96.76 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.218 1.009 . . . . 0.0 111.337 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -69.35 -55.53 10.15 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 128.007 2.523 . . . . 0.0 110.641 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.53 -42.82 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 O-C-N 121.743 -0.598 . . . . 0.0 111.097 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.55 -29.62 63.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 119.255 -0.978 . . . . 0.0 113.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.87 -27.39 65.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.619 1.099 . . . . 0.0 110.848 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.63 -41.76 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 121.199 -0.938 . . . . 0.0 110.858 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -67.99 -52.08 39.92 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -120.25 -31.92 4.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.818 1.247 . . . . 0.0 112.882 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.49 -18.97 64.11 Favored Glycine 0 CA--C 1.538 1.528 0 O-C-N 121.186 -0.947 . . . . 0.0 113.336 170.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m 57.38 43.84 22.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 113.604 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -58.55 149.52 25.29 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.987 161.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -140.47 119.6 12.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.288 1.035 . . . . 0.0 111.301 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.97 168.12 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.894 2.078 . . . . 0.0 109.543 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -64.4 -171.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.229 1.812 . . . . 0.0 111.871 167.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.3 -5.91 0.23 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 118.064 1.986 . . . . 0.0 118.064 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 48.7 m -45.51 -68.51 0.19 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.803 1.802 . . . . 0.0 111.708 170.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.78 -35.17 78.2 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.156 -0.965 . . . . 0.0 112.874 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.51 -54.25 35.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.413 1.085 . . . . 0.0 110.516 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -63.72 -43.57 96.14 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 117.467 -1.254 . . . . 0.0 112.268 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 11.6 mptt -53.6 -49.28 68.15 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.255 1.389 . . . . 0.0 111.78 169.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.25 2.5 pp -81.38 -21.11 39.27 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.356 -2.09 . . . . 0.0 114.982 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.5 p -87.35 -25.73 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.409 0.684 . . . . 0.0 112.191 171.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.7 t -70.27 -33.19 71.29 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.589 -1.32 . . . . 0.0 112.036 171.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.42 3.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.783 0.833 . . . . 0.0 110.628 174.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -37.54 77.35 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.713 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.34 -19.18 8.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -120.18 -25.81 5.63 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 161.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -63.27 -53.51 51.75 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.747 1.612 . . . . 0.0 113.264 174.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -70.69 -28.55 64.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.191 1.396 . . . . 0.0 113.19 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -91.92 -56.82 2.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.841 2.056 . . . . 0.0 115.608 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.49 -34.9 4.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -157.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 126.545 1.938 . . . . 0.0 112.697 -176.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -146.62 162.29 38.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.35 1.46 . . . . 0.0 112.406 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -71.17 144.39 50.2 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.052 0.941 . . . . 0.0 111.469 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.04 162.87 32.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.963 1.705 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -132.92 147.62 52.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.915 0.886 . . . . 0.0 112.919 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -122.54 12.74 10.06 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.456 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 64.4 m 47.19 -95.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.273 2.229 . . . . 0.0 114.937 -175.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -125.49 91.51 3.42 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.252 1.842 . . . . 0.0 110.14 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.59 -35.35 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.828 0.851 . . . . 0.0 110.66 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.22 -0.13 58.59 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.129 1.347 . . . . 0.0 113.7 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.86 -70.93 0.59 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.483 . . . . 0.0 108.985 171.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.77 32.08 20.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.189 1.396 . . . . 0.0 114.345 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.66 165.15 0.91 Allowed 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.966 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -38.05 -41.34 0.56 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 -34.3 57.02 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.284 -1.51 . . . . 0.0 113.545 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.2 7.98 35.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.814 2.445 . . . . 0.0 113.082 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.99 -8.97 58.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.234 1.414 . . . . 0.0 113.746 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -44.57 -31.47 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.677 1.126 . . . . 0.0 113.291 -176.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.3 tptp -47.78 -67.36 0.28 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.272 1.429 . . . . 0.0 113.585 165.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.16 -37.33 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.531 2.333 . . . . 0.0 109.752 -173.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -47.67 66.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.551 3.14 . . . . 0.0 111.085 168.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tt -74.55 -44.42 51.14 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.882 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.29 -28.39 66.73 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.242 2.217 . . . . 0.0 115.407 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.73 -31.82 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 169.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.33 -38.26 74.86 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.388 0.675 . . . . 0.0 111.812 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.475 HG13 ' H ' ' A' ' 27' ' ' ASN . 7.3 pt -55.67 -57.18 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.475 ' H ' HG13 ' A' ' 26' ' ' ILE . 70.4 m-80 -149.07 -62.33 0.23 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.023 2.129 . . . . 0.0 108.894 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -159.4 -45.78 0.05 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -157.25 149.21 22.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.114 0.87 . . . . 0.0 112.368 -171.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -152.66 -41.44 0.1 Allowed 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -34.5 -43.92 0.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.794 2.038 . . . . 0.0 114.863 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -70.9 -32.69 49.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.67 -40.43 72.27 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.557 -0.714 . . . . 0.0 109.911 167.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.18 -47.47 82.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.531 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.3 tp -53.89 -53.17 56.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.453 1.024 . . . . 0.0 111.646 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 t -67.23 -39.18 86.18 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.628 0.728 . . . . 0.0 111.76 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -41.08 99.06 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.535 0.683 . . . . 0.0 110.808 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.62 -55.64 12.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.226 1.81 . . . . 0.0 110.994 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.18 -43.12 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 O-C-N 121.874 -0.516 . . . . 0.0 110.858 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.57 -28.2 62.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.993 -1.083 . . . . 0.0 113.367 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.45 -24.29 64.7 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.721 1.146 . . . . 0.0 111.137 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.47 -47.42 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.85 -1.156 . . . . 0.0 110.372 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.07 -45.66 76.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -122.07 -32.13 3.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.652 1.181 . . . . 0.0 113.204 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.15 -19.56 68.26 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 121.123 -0.985 . . . . 0.0 113.308 172.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.91 45.99 17.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.667 1.987 . . . . 0.0 113.683 176.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -64.88 140.95 58.92 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.325 -0.86 . . . . 0.0 110.374 160.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -137.79 130.85 30.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.018 1.327 . . . . 0.0 110.602 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -162.68 168.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 126.761 2.024 . . . . 0.0 109.796 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.4 -169.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.795 2.038 . . . . 0.0 113.49 162.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.1 -6.47 0.37 Allowed Glycine 0 N--CA 1.474 1.214 0 N-CA-C 118.132 2.013 . . . . 0.0 118.132 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -49.2 -64.66 0.74 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.93 1.865 . . . . 0.0 111.321 170.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -67.57 -35.82 79.75 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.612 1.096 . . . . 0.0 113.191 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -51.52 -55.11 20.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.486 1.114 . . . . 0.0 110.532 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -62.88 -43.86 97.67 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.007 1.323 . . . . 0.0 112.868 -179.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -55.39 -47.95 75.09 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.62 1.555 . . . . 0.0 111.459 172.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.13 -40.1 71.62 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.163 -1.586 . . . . 0.0 112.451 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.1 p -79.2 -27.43 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.689 -0.632 . . . . 0.0 111.859 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -71.8 -34.27 69.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.71 -1.243 . . . . 0.0 112.058 173.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -46.78 -58.49 3.83 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.646 0.778 . . . . 0.0 110.358 174.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -37.46 76.1 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.977 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -56.47 -19.13 13.79 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 118.711 -0.662 . . . . 0.0 112.681 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -33.36 5.44 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 164.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.59 -51.61 64.57 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.146 1.339 . . . . 0.0 113.234 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -70.03 -33.88 72.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.055 1.342 . . . . 0.0 112.308 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -91.27 -58.64 2.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.385 1.874 . . . . 0.0 115.892 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -108.17 -45.47 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -158.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.076 2.15 . . . . 0.0 112.317 -173.184 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 112.217 -0.353 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 57.07 31.46 19.99 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.669 1.587 . . . . 0.0 115.152 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -72.56 143.07 48.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.622 1.169 . . . . 0.0 111.525 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt -100.79 149.35 23.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.822 1.249 . . . . 0.0 111.261 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.0 ttp180 -142.33 143.77 32.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.437 1.095 . . . . 0.0 112.056 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.24 21.64 12.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.411 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.256 88.3 p 36.74 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.277 2.231 . . . . 0.0 114.925 -171.622 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.25 90.47 3.27 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 119.84 -1.788 . . . . 0.0 112.614 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mt -71.92 -31.13 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.206 1.402 . . . . 0.0 110.833 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.43 9.2 67.19 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 115.238 0.855 . . . . 0.0 115.238 -167.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.14 -71.43 0.38 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.172 1.389 . . . . 0.0 111.901 173.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.93 44.34 13.68 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 169.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.12 137.38 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.349 2.9 t 50.01 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 130.037 3.335 . . . . 0.0 113.586 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.59 -28.87 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.161 0.984 . . . . 0.0 112.68 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -107.19 2.8 25.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.54 1.136 . . . . 0.0 112.99 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.91 -11.82 59.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -46.32 -29.29 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.446 1.475 . . . . 0.0 114.03 -175.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.411 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.0 tptp -48.32 -67.66 0.25 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.443 1.497 . . . . 0.0 113.864 164.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.4 ' H ' HD22 ' B' ' 20' ' ' LEU . 2.1 mm? -69.98 -36.68 75.37 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 126.959 2.104 . . . . 0.0 109.636 -172.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.65 -49.93 45.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 129.397 3.079 . . . . 0.0 110.947 166.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.46 -47.85 53.09 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -175.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.86 -33.05 70.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.357 1.863 . . . . 0.0 114.759 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 pt -84.26 -28.98 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.994 1.27 . . . . 0.0 112.625 172.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.45 -27.67 59.0 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 pt -82.05 -176.33 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.855 1.262 . . . . 0.0 113.571 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -62.47 -27.44 69.13 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -170.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -145.39 149.58 34.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.322 0.965 . . . . 0.0 113.281 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 83.78 2.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.83 1.652 . . . . 0.0 112.034 -172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.84 -43.0 72.86 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -161.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -37.08 -42.12 0.4 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.533 1.933 . . . . 0.0 114.582 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.85 -42.25 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.381 1.072 . . . . 0.0 112.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.28 -43.51 64.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.879 0.872 . . . . 0.0 109.807 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.52 -48.12 82.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.909 174.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.88 -55.12 22.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.027 1.285 . . . . 0.0 110.907 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.03 -41.4 90.98 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.06 0.845 . . . . 0.0 111.851 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.1 t -62.24 -41.52 98.49 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.699 0.761 . . . . 0.0 110.723 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.99 -56.6 9.46 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.692 1.997 . . . . 0.0 110.903 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.57 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.82 -0.55 . . . . 0.0 111.371 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.0 -30.73 65.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.747 -1.181 . . . . 0.0 113.024 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.33 -24.37 63.91 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.614 1.097 . . . . 0.0 111.394 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.38 -47.87 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.722 -1.236 . . . . 0.0 109.919 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -72.1 -43.31 64.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -119.18 -30.91 4.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.373 1.069 . . . . 0.0 113.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.15 -15.32 72.08 Favored Glycine 0 CA--C 1.54 1.62 0 O-C-N 121.25 -0.907 . . . . 0.0 114.048 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.311 72.1 p 53.01 42.49 32.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.275 2.23 . . . . 0.0 115.336 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.94 143.17 22.32 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.701 159.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -140.9 117.79 11.1 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.383 1.073 . . . . 0.0 111.384 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -162.24 169.74 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 127.317 2.247 . . . . 0.0 109.473 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -62.11 -169.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.033 1.733 . . . . 0.0 112.003 166.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.24 0.23 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 126.363 1.935 . . . . 0.0 117.869 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -47.18 -64.64 0.73 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.763 1.782 . . . . 0.0 111.646 171.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -70.83 -33.62 70.86 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.061 -1.024 . . . . 0.0 113.458 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -52.19 -54.9 25.2 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.27 1.028 . . . . 0.0 109.926 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -61.03 -43.16 99.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 124.828 1.251 . . . . 0.0 112.106 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -54.6 -51.84 64.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.256 1.389 . . . . 0.0 111.945 174.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pp -82.06 -22.82 36.16 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 119.79 -1.818 . . . . 0.0 114.65 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 2.9 p -80.6 -24.68 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 118.834 0.743 . . . . 0.0 111.885 169.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.0 t -73.15 -31.01 64.0 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.596 -1.315 . . . . 0.0 112.673 171.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -48.55 -57.35 6.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.573 172.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -37.91 84.88 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 118.416 0.553 . . . . 0.0 112.14 176.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.62 -25.68 18.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.163 -0.922 . . . . 0.0 112.428 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -120.28 -19.46 7.66 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.9 -48.48 36.85 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 121.142 1.792 . . . . 0.0 112.61 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.68 -31.69 68.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.437 1.095 . . . . 0.0 112.378 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -99.27 -62.38 1.24 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -100.76 -38.11 8.42 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -158.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.561 2.344 . . . . 0.0 111.789 -177.073 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.096 -0.401 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -148.36 165.89 29.7 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 112.439 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -119.23 149.28 42.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.481 1.513 . . . . 0.0 111.592 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.4 ttp -131.79 161.16 33.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.144 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -119.74 150.79 39.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.64 1.176 . . . . 0.0 113.57 -174.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.1 mmm -121.85 17.33 11.01 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.432 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 92.4 p 43.15 -95.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.302 2.641 . . . . 0.0 114.819 -176.101 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.49 89.77 2.83 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 120.388 1.449 . . . . 0.0 110.639 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.43 -32.7 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.059 1.344 . . . . 0.0 110.649 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.38 6.58 61.18 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.436 1.017 . . . . 0.0 113.462 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.01 -72.05 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.759 1.624 . . . . 0.0 108.147 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.91 39.0 31.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.472 1.509 . . . . 0.0 113.299 -176.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -58.84 167.46 1.56 Allowed 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 126.248 1.819 . . . . 0.0 112.363 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -38.58 -41.91 0.72 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.29 -31.67 49.06 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.345 -1.472 . . . . 0.0 113.774 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -93.4 12.04 26.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.921 2.489 . . . . 0.0 113.174 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.61 -9.4 58.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.461 1.504 . . . . 0.0 114.132 -174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.09 -31.6 0.38 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.917 1.687 . . . . 0.0 113.976 -176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.1 tptp -51.89 -67.93 0.21 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.275 1.83 . . . . 0.0 113.101 166.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.079 2.152 . . . . 0.0 109.782 -173.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.24 -52.92 62.69 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 125.007 1.323 . . . . 0.0 108.986 168.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.36 -42.34 75.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -162.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.23 -37.52 69.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.027 2.931 . . . . 0.0 116.164 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 pt -77.71 -28.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 120.287 1.403 . . . . 0.0 112.123 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -76.73 -28.76 55.92 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.153 0.981 . . . . 0.0 112.683 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.5 pt -81.18 -136.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 111.872 173.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -65.58 11.03 0.08 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 127.863 2.465 . . . . 0.0 115.313 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 69.28 144.9 0.05 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.356 3.062 . . . . 0.0 116.476 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 52.24 32.87 11.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.827 2.051 . . . . 0.0 116.055 165.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -70.0 -26.44 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.475 -1.39 . . . . 0.0 114.685 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -33.67 41.0 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.471 -1.393 . . . . 0.0 113.213 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.056 0.943 . . . . 0.0 111.715 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.13 -46.35 79.23 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.403 -0.811 . . . . 0.0 110.248 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.63 -47.59 85.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.217 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.68 -55.58 15.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.947 1.703 . . . . 0.0 111.919 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -67.58 -39.85 84.85 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.443 1.02 . . . . 0.0 111.963 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -60.57 -43.27 97.48 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.84 0.828 . . . . 0.0 110.911 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.52 -57.18 7.85 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.09 2.156 . . . . 0.0 110.575 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.91 -41.06 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 122.063 -0.398 . . . . 0.0 111.646 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.65 -27.58 63.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 118.908 -1.117 . . . . 0.0 113.389 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -65.84 -26.72 67.79 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.719 1.145 . . . . 0.0 112.16 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.44 -52.67 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 120.474 -1.391 . . . . 0.0 110.208 167.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.98 -42.21 81.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -166.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -121.25 -29.61 4.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 113.221 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.32 73.03 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 119.508 1.049 . . . . 0.0 113.602 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.295 69.7 p 52.74 45.29 28.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.966 2.106 . . . . 0.0 114.414 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -53.77 141.13 27.76 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 110.719 162.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -146.38 116.51 7.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.034 1.334 . . . . 0.0 110.358 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.76 171.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.0 2.12 . . . . 0.0 108.942 -174.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -62.08 -171.31 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.514 1.526 . . . . 0.0 111.692 164.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.75 -5.43 0.15 Allowed Glycine 0 N--CA 1.473 1.147 0 N-CA-C 118.256 2.062 . . . . 0.0 118.256 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -47.24 -67.29 0.29 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.324 2.062 . . . . 0.0 111.688 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -65.66 -35.84 81.93 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.898 -1.126 . . . . 0.0 112.952 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -53.21 -56.84 13.31 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 125.061 1.344 . . . . 0.0 110.282 170.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -62.29 -43.92 97.7 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.626 -177.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -50.42 -55.96 13.53 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.734 1.606 . . . . 0.0 111.363 170.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.4 -24.34 39.76 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 119.92 -1.737 . . . . 0.0 114.627 -171.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -79.98 -26.45 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.531 171.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -69.89 -34.35 73.43 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.753 -1.217 . . . . 0.0 111.321 172.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.26 -54.52 13.35 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.503 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -36.22 73.96 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.41 -21.22 14.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.93 -37.95 4.35 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 169.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -62.31 -49.08 77.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.01 -34.08 66.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.878 1.271 . . . . 0.0 112.563 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -92.23 -58.02 2.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.436 1.894 . . . . 0.0 116.071 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -105.34 -43.96 4.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -159.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.683 1.193 . . . . 0.0 113.243 -170.363 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -131.33 22.79 4.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.719 1.208 . . . . 0.0 113.332 -171.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -86.51 6.23 31.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -166.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -46.59 121.35 3.44 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.602 1.561 . . . . 0.0 112.584 -170.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 13.3 ttp180 -67.1 146.71 54.01 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.94 0.896 . . . . 0.0 113.155 -165.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.5 mmt -122.99 70.67 1.02 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.535 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 48.0 m -48.44 119.33 2.96 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.201 -175.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.439 0.0 OUTLIER 32.94 72.61 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 129.693 3.197 . . . . 0.0 117.083 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -62.25 -34.37 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 126.365 1.866 . . . . 0.0 111.381 170.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -1.89 55.89 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.501 1.048 . . . . 0.0 114.925 -168.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -129.76 -67.77 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.795 1.297 . . . . 0.0 110.171 170.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.05 36.84 9.34 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.962 1.705 . . . . 0.0 113.761 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -64.58 172.74 2.49 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 112.399 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -39.41 -43.44 1.22 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 -171.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.18 -34.1 49.79 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.28 -1.512 . . . . 0.0 113.735 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.02 11.59 20.17 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.28 2.232 . . . . 0.0 112.962 174.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.67 -12.26 61.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.418 1.487 . . . . 0.0 114.183 -174.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -44.02 -27.95 0.42 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.367 1.467 . . . . 0.0 114.613 -177.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.8 tptp -50.48 -69.78 0.1 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.113 1.365 . . . . 0.0 112.711 163.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.12 -37.16 80.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.321 1.848 . . . . 0.0 110.294 -174.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.18 -51.6 67.42 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.85 1.26 . . . . 0.0 108.209 170.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 52.8 tp -71.77 -40.83 69.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 116.316 -2.154 . . . . 0.0 106.539 -164.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -54.18 -40.17 67.3 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.237 2.215 . . . . 0.0 115.137 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.4 pt -78.72 -26.58 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 121.025 1.738 . . . . 0.0 112.874 173.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -75.34 -33.77 61.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.593 1.157 . . . . 0.0 112.409 -175.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.37 -170.92 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.051 1.341 . . . . 0.0 113.446 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -45.8 -44.82 14.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.521 2.328 . . . . 0.0 114.851 -171.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -155.31 158.92 39.51 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.184 1.393 . . . . 0.0 111.609 173.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.37 143.05 35.95 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.956 1.303 . . . . 0.0 112.073 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -137.41 -29.93 0.86 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -164.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.99 45.57 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.223 1.374 . . . . 0.0 112.984 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.08 -38.78 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.477 1.511 . . . . 0.0 112.264 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -60.03 -41.86 93.16 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 121.177 -0.952 . . . . 0.0 110.574 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.7 -39.86 95.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.244 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -56.1 -56.79 16.57 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 120.705 1.593 . . . . 0.0 111.8 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -64.98 -38.98 92.76 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 119.099 0.863 . . . . 0.0 111.528 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -61.0 -45.63 94.04 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.481 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.08 -53.01 35.0 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.053 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.18 -41.21 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.807 -0.558 . . . . 0.0 111.714 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.2 -27.12 64.25 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 118.674 -1.21 . . . . 0.0 113.321 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.1 -28.83 69.71 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.01 -1.057 . . . . 0.0 112.501 171.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.94 -52.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 120.025 -1.672 . . . . 0.0 109.641 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.24 -41.32 85.83 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -165.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -123.66 -31.69 3.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.7 1.2 . . . . 0.0 113.324 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.7 -19.08 74.6 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 119.624 1.102 . . . . 0.0 113.258 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m 56.81 55.81 5.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.806 2.042 . . . . 0.0 113.376 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -48.54 135.87 13.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.956 0.902 . . . . 0.0 109.519 158.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -139.81 86.52 2.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.847 1.259 . . . . 0.0 110.566 -169.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.94 167.68 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.873 1.669 . . . . 0.0 110.783 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.18 -167.9 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.322 2.249 . . . . 0.0 113.237 163.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.98 -7.21 0.29 Allowed Glycine 0 N--CA 1.473 1.158 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 83.2 m -47.94 -65.12 0.62 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 120.202 2.001 . . . . 0.0 111.949 171.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -67.76 -34.63 77.18 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.03 -1.043 . . . . 0.0 113.144 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -53.69 -55.82 22.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.608 1.163 . . . . 0.0 109.87 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -60.67 -44.95 95.86 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 124.912 1.285 . . . . 0.0 111.897 -179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -53.34 -52.4 59.33 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.157 1.344 . . . . 0.0 111.445 174.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.63 -27.55 40.94 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.963 -1.711 . . . . 0.0 114.48 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 p -77.28 -24.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.539 -0.726 . . . . 0.0 111.369 173.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.3 t -73.91 -34.36 64.35 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.719 -1.238 . . . . 0.0 112.418 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.52 -53.68 17.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.752 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -36.78 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.875 0.761 . . . . 0.0 112.666 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.02 -24.16 9.06 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.615 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -118.58 -25.79 6.35 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -67.26 -46.1 74.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.51 1.959 . . . . 0.0 112.695 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -73.49 -34.18 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.131 1.372 . . . . 0.0 112.331 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -94.25 -61.21 1.56 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -106.17 -41.22 5.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -157.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.512 1.525 . . . . 0.0 113.238 -171.744 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -86.1 137.43 32.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.798 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -135.92 146.18 47.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.474 1.509 . . . . 0.0 110.94 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.8 tpp -101.1 148.93 24.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.19 1.396 . . . . 0.0 111.095 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 ttp180 -137.65 143.08 41.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mmm -123.13 21.75 9.63 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.457 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 84.5 p 38.44 -89.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.654 2.782 . . . . 0.0 116.476 -173.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 92.38 3.35 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.818 1.645 . . . . 0.0 110.148 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.87 -35.57 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 0.0 111.141 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 1.75 55.86 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 125.263 1.411 . . . . 0.0 114.413 -175.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -137.51 -59.23 0.68 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.483 1.142 . . . . 0.0 110.028 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.81 42.4 23.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.413 1.485 . . . . 0.0 114.522 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -95.07 102.95 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.086 0.955 . . . . 0.0 113.506 -163.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.32 3.7 t 53.03 -69.15 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 129.204 3.001 . . . . 0.0 115.411 174.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.43 -24.2 64.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.58 1.152 . . . . 0.0 112.595 167.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -103.87 3.71 34.07 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.313 1.445 . . . . 0.0 112.347 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.77 -11.18 60.06 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.11 -30.58 0.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 120.261 1.391 . . . . 0.0 114.289 -173.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 4.3 tptp -49.6 -68.37 0.18 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.499 1.52 . . . . 0.0 113.401 166.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.408 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.9 mm? -68.18 -37.26 80.75 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 127.279 2.232 . . . . 0.0 109.561 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.91 -49.31 59.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 129.323 3.049 . . . . 0.0 111.075 167.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tt -72.0 -48.37 45.26 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -55.55 -38.94 69.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.305 1.842 . . . . 0.0 114.422 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.26 -28.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.113 1.324 . . . . 0.0 112.562 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.99 -27.58 57.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 pt -81.29 -169.59 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 124.848 1.259 . . . . 0.0 113.233 173.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -52.71 -39.85 62.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.048 2.139 . . . . 0.0 114.929 -172.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -153.95 145.33 23.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.759 1.224 . . . . 0.0 112.119 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.9 69.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.022 3.329 . . . . 0.0 113.603 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.413 ' CD2' HD12 ' A' ' 34' ' ' LEU . 27.9 t80 -55.62 -41.26 73.24 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -161.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.15 -41.19 0.57 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.472 2.309 . . . . 0.0 115.833 -176.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.15 -28.73 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 111.929 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.2 -43.36 99.0 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.549 -1.344 . . . . 0.0 110.313 171.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 HD12 ' CD2' ' A' ' 30' ' ' TYR . 4.3 mp -57.6 -50.34 73.45 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.146 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -46.18 -53.96 9.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.891 1.276 . . . . 0.0 111.638 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -67.71 -40.75 84.25 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 119.725 1.148 . . . . 0.0 112.656 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -39.12 81.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.571 1.176 . . . . 0.0 110.788 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -76.16 -51.06 12.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.02 2.128 . . . . 0.0 111.248 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -56.46 -41.61 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.269 0.941 . . . . 0.0 110.665 176.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -73.72 -27.66 61.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.225 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -65.59 -24.99 67.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.875 1.216 . . . . 0.0 111.475 172.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.18 -48.89 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.539 172.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -66.07 -45.92 79.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -123.62 -29.29 3.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.773 1.229 . . . . 0.0 113.101 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.92 -17.22 71.31 Favored Glycine 0 CA--C 1.54 1.652 0 O-C-N 121.177 -0.952 . . . . 0.0 113.606 168.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.315 75.6 p 54.88 41.13 32.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.14 2.176 . . . . 0.0 115.132 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.05 140.18 56.06 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.63 -0.669 . . . . 0.0 110.254 159.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -139.5 125.49 19.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 -174.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.96 169.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.425 2.29 . . . . 0.0 109.303 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.11 -159.83 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.422 1.489 . . . . 0.0 112.269 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.77 -6.67 1.83 Allowed Glycine 0 N--CA 1.469 0.887 0 N-CA-C 117.424 1.73 . . . . 0.0 117.424 -171.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -49.49 -60.45 2.84 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.652 1.726 . . . . 0.0 111.11 170.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -69.56 -37.11 76.89 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.732 1.151 . . . . 0.0 113.154 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -49.89 -54.83 17.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.91 0.884 . . . . 0.0 110.244 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.0 tptt -61.29 -44.38 97.31 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.449 1.5 . . . . 0.0 112.824 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -51.81 -53.65 37.71 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.931 1.696 . . . . 0.0 111.525 171.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -79.5 -23.77 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 119.84 -1.787 . . . . 0.0 113.609 -172.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.57 -25.6 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 119.277 0.944 . . . . 0.0 112.802 170.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.0 t -70.95 -34.36 71.38 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.225 -1.547 . . . . 0.0 111.638 172.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.79 -57.02 4.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.387 1.075 . . . . 0.0 110.4 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 65' ' ' ARG 0.283 0.0 OUTLIER -76.06 -29.12 57.89 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.992 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.92 -23.27 52.69 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.673 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' HG3' HH11 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -108.0 -41.22 5.01 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 115.437 1.644 . . . . 0.0 115.437 169.095 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.0 -49.67 76.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.405 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 33.8 mmm-85 -68.71 -39.46 80.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 111.868 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -97.26 -57.1 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.104 2.161 . . . . 0.0 115.599 -168.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.93 -45.21 5.77 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 124.931 1.292 . . . . 0.0 113.229 -171.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.497 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -139.77 156.01 47.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.104 1.362 . . . . 0.0 112.102 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -151.89 162.24 41.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.249 1.42 . . . . 0.0 111.824 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -68.0 146.18 53.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.331 1.052 . . . . 0.0 111.152 168.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 31.1 ttp180 -124.03 145.96 48.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 111.265 179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 15.1 mmt -123.44 74.32 1.24 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.614 0.721 . . . . 0.0 109.298 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.546 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 14.0 m -47.61 118.79 2.4 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.067 -175.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.46 0.0 OUTLIER 32.47 72.11 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 129.844 3.258 . . . . 0.0 117.656 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.3 mt -61.98 -32.55 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.899 2.079 . . . . 0.0 112.816 172.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.7 4.76 51.93 Favored Glycine 0 CA--C 1.545 1.946 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -168.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.19 -70.38 0.3 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.833 1.317 . . . . 0.0 112.496 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.21 43.75 10.62 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -123.77 135.19 53.67 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.35 3.2 t 49.15 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.859 3.263 . . . . 0.0 113.725 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -64.02 -30.33 71.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.365 1.066 . . . . 0.0 112.577 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -105.3 2.51 28.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.844 1.258 . . . . 0.0 112.977 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -64.22 -14.14 53.6 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -45.4 -28.59 0.9 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.711 1.596 . . . . 0.0 114.662 -174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.546 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.1 tptp -51.73 -64.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.315 1.446 . . . . 0.0 113.401 166.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -69.78 -34.84 74.31 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.844 2.058 . . . . 0.0 110.177 -174.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.57 -45.32 81.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.31 3.044 . . . . 0.0 111.107 169.442 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -73.14 -44.49 60.07 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.321 -1.352 . . . . 0.0 107.836 -178.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -59.86 -26.51 65.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.121 1.768 . . . . 0.0 115.215 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 pt -88.3 -28.77 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.732 1.151 . . . . 0.0 112.961 168.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.7 tp -69.25 -28.84 66.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.254 1.022 . . . . 0.0 112.465 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -86.13 -144.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.98 1.712 . . . . 0.0 112.149 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.67 18.58 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 128.51 2.724 . . . . 0.0 115.636 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.7 m80 68.35 152.81 0.09 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 129.259 3.024 . . . . 0.0 116.881 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . 0.273 12.5 pt-20 50.1 21.07 0.69 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 163.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.92 -31.85 71.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.396 -1.44 . . . . 0.0 114.754 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.51 -35.04 12.33 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 174.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.39 -32.22 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.795 0.838 . . . . 0.0 111.792 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.23 -43.86 92.33 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 120.899 -1.126 . . . . 0.0 110.433 173.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.03 -51.72 68.49 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 116.695 -1.621 . . . . 0.0 110.481 168.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.45 -53.74 10.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.489 1.495 . . . . 0.0 111.911 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.2 m -63.92 -50.04 70.25 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.163 0.892 . . . . 0.0 110.966 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -60.6 -34.17 73.83 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 121.106 -0.996 . . . . 0.0 111.093 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.54 -51.53 16.66 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 127.258 2.223 . . . . 0.0 111.814 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.64 -38.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 119.252 0.933 . . . . 0.0 111.268 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -73.15 -27.69 61.81 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.52 -33.4 73.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.154 1.343 . . . . 0.0 111.399 170.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.37 -51.9 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.487 -1.383 . . . . 0.0 109.986 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -167.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -118.3 -28.14 5.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.813 1.245 . . . . 0.0 113.098 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -16.13 75.12 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 119.773 1.169 . . . . 0.0 113.131 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.276 72.4 p 52.87 57.57 6.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.089 2.156 . . . . 0.0 113.795 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -49.22 142.99 6.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.548 1.139 . . . . 0.0 111.502 166.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -141.68 84.41 1.9 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.439 1.496 . . . . 0.0 110.551 -172.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.3 167.5 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.491 1.916 . . . . 0.0 109.935 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.54 -169.97 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.121 1.769 . . . . 0.0 112.037 167.306 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.7 -7.2 0.25 Allowed Glycine 0 N--CA 1.471 1.02 0 C-N-CA 126.364 1.935 . . . . 0.0 117.885 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 96.1 m -47.87 -64.04 0.9 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.285 2.043 . . . . 0.0 111.458 170.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -68.39 -32.51 72.63 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.819 -1.176 . . . . 0.0 113.048 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -56.93 -53.29 59.66 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.491 1.117 . . . . 0.0 110.598 170.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -61.97 -42.31 98.98 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 125.309 1.444 . . . . 0.0 112.388 -179.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -59.11 -44.23 91.97 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.685 1.584 . . . . 0.0 111.412 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.35 -41.57 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.313 -1.492 . . . . 0.0 112.874 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 p -82.75 -26.53 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.634 0.774 . . . . 0.0 112.082 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.2 t -71.19 -35.01 71.43 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.007 -1.058 . . . . 0.0 112.326 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.69 -56.72 9.11 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.77 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.76 78.66 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 119.196 -0.431 . . . . 0.0 112.061 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.22 -24.37 18.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.453 0.701 . . . . 0.0 112.451 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 170.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.72 -48.85 70.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -73.45 -34.56 65.47 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.057 1.343 . . . . 0.0 112.224 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.61 -62.4 1.44 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.99 -40.39 8.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -160.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.289 1.435 . . . . 0.0 113.448 -173.153 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -78.5 167.6 21.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.143 1.377 . . . . 0.0 113.435 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -141.59 167.81 21.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.598 1.559 . . . . 0.0 111.312 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -71.73 148.39 46.43 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.555 -0.716 . . . . 0.0 111.356 163.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 47.7 ttp180 -139.27 143.77 38.08 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.655 1.582 . . . . 0.0 110.466 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -124.49 67.66 1.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.57 0.7 . . . . 0.0 110.562 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.448 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 72.9 m -73.66 106.31 5.36 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.743 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.85 143.35 50.88 Favored 'General case' 0 CA--C 1.534 0.329 1 C-N-CA 135.653 5.581 . . . . 0.0 106.507 -4.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.39 -35.68 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.747 -0.596 . . . . 0.0 112.083 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 1.94 59.73 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 124.819 1.2 . . . . 0.0 114.195 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -135.11 -60.27 0.77 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.688 1.244 . . . . 0.0 109.836 168.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.68 41.29 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.364 1.466 . . . . 0.0 114.597 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.54 99.86 12.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -161.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.33 6.0 t 53.29 -69.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 129.043 2.937 . . . . 0.0 115.897 171.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.37 -26.99 68.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.227 1.376 . . . . 0.0 112.172 163.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -100.0 5.17 45.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.738 1.615 . . . . 0.0 112.342 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.03 -9.58 47.0 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -45.51 -29.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 120.621 1.555 . . . . 0.0 114.263 -174.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.6 tptt -47.99 -71.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.44 1.896 . . . . 0.0 113.149 164.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' H ' HD21 ' A' ' 20' ' ' LEU . 2.0 mm? -68.05 -34.21 76.02 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.7 2.4 . . . . 0.0 110.052 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -48.66 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 129.426 3.09 . . . . 0.0 111.099 168.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.87 -39.82 66.14 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 116.542 -2.063 . . . . 0.0 107.772 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.35 -25.24 67.95 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -88.65 -27.16 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.131 1.332 . . . . 0.0 112.765 167.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.1 -29.92 64.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.209 1.004 . . . . 0.0 112.706 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 pt -85.5 -172.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.95 1.3 . . . . 0.0 113.835 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -54.03 -44.25 70.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.265 2.226 . . . . 0.0 114.59 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -141.9 150.52 41.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.029 1.332 . . . . 0.0 112.42 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.79 73.43 1.56 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.436 1.895 . . . . 0.0 112.935 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -62.76 -27.47 69.31 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.316 1.969 . . . . 0.0 116.316 -161.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.0 53.36 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.143 1.338 . . . . 0.0 112.989 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mm -72.05 -33.02 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.277 -0.889 . . . . 0.0 113.343 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.1 -44.17 78.8 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.064 0.393 . . . . 0.0 110.747 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.98 -45.98 91.25 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.965 171.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.2 -54.66 32.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.583 1.992 . . . . 0.0 110.576 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -66.58 -38.62 87.45 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 118.787 0.721 . . . . 0.0 112.359 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -61.6 -43.4 98.92 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.381 1.086 . . . . 0.0 110.918 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.07 -54.9 14.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.513 2.325 . . . . 0.0 110.741 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.04 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.7 -28.0 63.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 119.112 -1.035 . . . . 0.0 113.617 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.6 -27.75 67.18 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.438 1.017 . . . . 0.0 110.931 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.57 -44.1 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.602 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.55 -49.01 65.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.689 1.196 . . . . 0.0 113.606 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -122.41 -31.83 3.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 113.233 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -18.01 62.67 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 170.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.8 m 56.56 47.11 19.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.708 2.003 . . . . 0.0 112.946 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.64 157.85 8.69 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.508 1.123 . . . . 0.0 113.35 170.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.19 110.08 5.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.042 0.937 . . . . 0.0 111.817 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.78 165.08 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.416 1.887 . . . . 0.0 110.141 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.62 -171.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.448 2.299 . . . . 0.0 113.807 164.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.72 -6.48 0.51 Allowed Glycine 0 N--CA 1.474 1.182 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -48.38 -62.19 1.62 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.006 1.903 . . . . 0.0 111.642 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -69.11 -36.22 77.3 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.454 1.024 . . . . 0.0 113.173 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -51.83 -54.46 28.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.211 1.004 . . . . 0.0 110.571 170.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -63.28 -44.02 96.25 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.331 1.452 . . . . 0.0 112.564 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -53.41 -48.41 68.72 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.469 1.486 . . . . 0.0 111.289 169.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.21 -37.7 72.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.913 -1.742 . . . . 0.0 112.803 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.4 p -81.5 -27.38 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.232 0.613 . . . . 0.0 112.266 178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -71.83 -33.26 68.35 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.616 -1.303 . . . . 0.0 112.338 173.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.59 -57.22 5.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 0.0 109.64 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -37.45 77.36 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.28 -21.13 13.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.534 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' HG3' HH11 ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.61 -35.13 5.31 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 168.062 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -63.58 -51.32 65.86 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.441 1.019 . . . . 0.0 113.478 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -71.22 -34.2 70.61 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.565 1.146 . . . . 0.0 112.517 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -87.62 -58.67 2.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.458 1.903 . . . . 0.0 115.7 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -107.53 -48.44 3.43 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -160.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.561 1.945 . . . . 0.0 112.533 -171.897 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m 59.57 18.83 7.37 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -135.18 153.17 52.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.048 1.739 . . . . 0.0 110.825 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -123.26 155.7 36.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.467 1.507 . . . . 0.0 111.407 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.418 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 10.1 ttp180 -128.05 141.99 51.35 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.246 1.018 . . . . 0.0 112.646 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 68.6 mmm -124.75 66.05 1.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.428 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 30.1 m -51.17 114.75 1.28 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.973 0.892 . . . . 0.0 112.318 -172.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.436 ' O ' ' HE2' ' B' ' 56' ' ' LYS 0.303 3.3 mt 52.92 71.16 0.51 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 129.128 2.971 . . . . 0.0 114.267 177.311 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.62 -36.08 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 110.907 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.69 2.86 32.52 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 125.113 1.339 . . . . 0.0 115.452 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -140.97 -45.09 0.39 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.496 1.648 . . . . 0.0 112.154 166.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 45.75 51.35 10.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.2 2.2 . . . . 0.0 115.361 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -111.18 113.53 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -159.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.5 t 51.56 -72.09 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 129.238 3.015 . . . . 0.0 114.542 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.47 -29.12 69.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.803 1.241 . . . . 0.0 112.683 168.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -105.35 7.6 33.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.914 1.286 . . . . 0.0 112.582 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.8 -10.16 59.36 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -43.74 -31.55 0.83 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.473 1.509 . . . . 0.0 114.248 -176.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.428 ' HE2' ' HA ' ' B' ' 7' ' ' SER . 1.2 tptt -49.76 -67.08 0.29 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.797 1.639 . . . . 0.0 112.921 166.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -70.71 -36.56 73.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 127.275 2.23 . . . . 0.0 109.941 -173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.7 -52.96 60.78 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.834 1.254 . . . . 0.0 108.239 168.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.69 -46.27 69.48 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 -162.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -53.05 -43.66 66.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.891 2.476 . . . . 0.0 115.682 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -76.4 -26.86 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.935 1.698 . . . . 0.0 112.256 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.05 -30.51 44.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.885 0.874 . . . . 0.0 113.0 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 pt -79.3 -169.25 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.842 1.257 . . . . 0.0 113.441 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -52.71 -37.81 59.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.26 2.224 . . . . 0.0 114.915 -172.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.99 150.38 29.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.514 1.126 . . . . 0.0 112.987 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.03 80.3 0.93 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.314 1.846 . . . . 0.0 112.041 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -71.94 -27.76 63.01 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -160.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.62 48.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 120.214 1.37 . . . . 0.0 113.211 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 124.053 0.941 . . . . 0.0 111.99 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.16 -43.65 87.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.35 -0.844 . . . . 0.0 110.09 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.81 -51.04 71.7 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.04 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -49.03 -53.53 19.73 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 121.027 1.74 . . . . 0.0 112.047 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.4 t -68.6 -41.91 78.89 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.407 0.622 . . . . 0.0 111.703 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -40.68 94.04 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.057 0.932 . . . . 0.0 111.551 177.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.54 -55.38 7.94 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.931 2.492 . . . . 0.0 110.76 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.18 -41.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.623 -0.673 . . . . 0.0 111.31 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.09 -28.58 63.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.522 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.73 -24.96 64.52 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.77 1.168 . . . . 0.0 110.918 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.66 -44.31 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 120.767 -1.208 . . . . 0.0 110.548 172.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.78 -49.39 66.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.3 t -120.21 -30.64 4.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.708 1.203 . . . . 0.0 112.939 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -18.42 70.95 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 113.633 169.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.7 p 53.16 42.3 32.15 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.275 2.23 . . . . 0.0 115.125 177.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -57.81 146.03 33.0 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.748 162.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -141.94 127.03 18.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.089 0.956 . . . . 0.0 112.161 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -163.43 169.73 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 127.537 2.335 . . . . 0.0 108.99 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.23 -171.01 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.513 1.925 . . . . 0.0 113.65 162.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.09 -6.65 0.39 Allowed Glycine 0 N--CA 1.476 1.304 0 N-CA-C 117.798 1.879 . . . . 0.0 117.798 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.9 m -49.53 -64.7 0.73 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.762 1.781 . . . . 0.0 110.435 169.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -65.56 -41.24 93.19 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.234 1.379 . . . . 0.0 112.381 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -46.68 -54.88 8.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.451 1.101 . . . . 0.0 111.068 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 18.4 tptt -61.3 -42.06 98.03 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 116.84 -1.552 . . . . 0.0 112.894 -179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' B' ' 8' ' ' LEU . 1.1 mptm? -54.15 -52.46 61.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 121.129 1.786 . . . . 0.0 111.957 169.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.58 -35.91 75.8 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 119.913 -1.742 . . . . 0.0 112.222 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.8 p -82.67 -26.43 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 4.2 t -68.93 -33.26 73.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.494 -1.379 . . . . 0.0 111.771 171.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.45 -54.75 13.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.359 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -38.8 85.23 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.521 0.601 . . . . 0.0 111.892 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -56.65 -19.67 17.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.552 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -113.92 -29.38 7.06 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -72.67 -45.31 59.56 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.598 1.999 . . . . 0.0 113.247 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -71.63 -32.7 68.25 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.909 1.283 . . . . 0.0 112.126 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.53 -62.94 1.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.898 2.185 . . . . 0.0 116.898 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -95.14 -42.42 8.59 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -160.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.669 2.388 . . . . 0.0 111.667 -175.556 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -137.23 155.84 49.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.217 1.407 . . . . 0.0 112.109 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 54.3 33.66 18.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.697 1.599 . . . . 0.0 114.402 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 tpp -65.21 109.54 2.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.337 -0.852 . . . . 0.0 111.338 -173.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.4 ttp85 -68.09 149.72 49.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.353 1.461 . . . . 0.0 112.175 -172.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.78 13.45 11.53 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.5 m 48.37 -96.0 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.796 2.038 . . . . 0.0 115.159 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -131.21 95.92 3.9 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 121.169 1.804 . . . . 0.0 110.463 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.99 -39.06 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.26 1.024 . . . . 0.0 110.778 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.31 33.04 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 125.818 1.675 . . . . 0.0 114.986 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.28 -59.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.11 1.364 . . . . 0.0 110.576 166.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.55 35.54 21.14 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.406 1.482 . . . . 0.0 114.063 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -57.08 164.46 1.65 Allowed 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.405 1.482 . . . . 0.0 111.479 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -33.74 -43.44 0.13 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 -175.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.1 -29.85 49.22 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.108 -1.62 . . . . 0.0 113.883 175.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -94.24 6.15 49.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.861 2.865 . . . . 0.0 112.809 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.27 -10.36 59.68 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.333 1.453 . . . . 0.0 114.069 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.8 pm0 -44.69 -28.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.999 1.32 . . . . 0.0 114.125 -174.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -49.19 -70.58 0.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.143 1.777 . . . . 0.0 113.427 163.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.406 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -66.68 -37.28 84.42 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.644 2.378 . . . . 0.0 109.754 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.03 -47.76 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 129.78 3.232 . . . . 0.0 111.424 168.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.3 -41.81 56.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.981 -1.488 . . . . 0.0 107.89 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -58.16 -34.46 70.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.356 1.862 . . . . 0.0 114.679 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -84.17 -28.13 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.175 0.898 . . . . 0.0 113.316 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -71.78 -33.2 68.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.207 1.003 . . . . 0.0 112.562 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.59 -177.41 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.658 1.183 . . . . 0.0 113.649 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.89 -28.86 69.83 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -167.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -146.53 155.41 42.5 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.185 0.994 . . . . 0.0 112.766 168.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.51 149.41 48.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.412 1.085 . . . . 0.0 112.693 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.3 t80 -141.12 -38.29 0.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -163.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.78 -43.68 1.47 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.506 1.522 . . . . 0.0 113.714 167.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.62 -39.42 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 123.681 0.792 . . . . 0.0 111.915 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.66 -40.95 76.4 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.276 172.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.6 mt -59.03 -54.23 49.45 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.667 171.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 tp -49.06 -55.51 11.88 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.318 1.047 . . . . 0.0 111.583 -176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -66.48 -43.16 86.19 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.815 0.817 . . . . 0.0 112.107 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 t -60.16 -41.53 93.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.75 0.786 . . . . 0.0 110.594 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -74.4 -49.83 20.97 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 125.771 1.628 . . . . 0.0 111.378 -171.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -57.59 -42.27 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.543 -0.723 . . . . 0.0 110.843 175.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.64 -27.1 62.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.273 -1.371 . . . . 0.0 113.31 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -69.82 -23.24 63.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.864 -1.147 . . . . 0.0 111.589 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.09 -46.85 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 120.303 -1.498 . . . . 0.0 110.35 171.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.51 -49.72 67.93 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.333 1.053 . . . . 0.0 113.502 -173.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -115.51 -32.64 5.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.516 1.126 . . . . 0.0 112.771 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.9 -15.15 73.76 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 114.487 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 78.2 p 53.21 38.28 27.19 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.004 2.122 . . . . 0.0 115.163 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -75.38 0.06 18.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -49.28 131.36 20.02 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 127.881 2.473 . . . . 0.0 113.884 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 m -130.17 -158.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.478 1.911 . . . . 0.0 111.305 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -57.82 -176.66 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.583 1.953 . . . . 0.0 113.805 164.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.55 -10.76 1.55 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -46.72 -61.84 1.66 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.723 1.762 . . . . 0.0 110.983 166.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -70.41 -36.59 74.12 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.989 -1.069 . . . . 0.0 112.822 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -50.4 -54.69 20.01 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.039 0.936 . . . . 0.0 110.245 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -61.98 -44.53 96.54 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 125.235 1.414 . . . . 0.0 112.808 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -52.6 -52.19 56.38 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.78 1.627 . . . . 0.0 111.766 171.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -81.28 -22.43 38.64 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.914 -1.741 . . . . 0.0 114.047 -173.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -83.18 -27.51 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 119.22 0.918 . . . . 0.0 111.877 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -72.01 -30.35 65.13 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.405 -1.434 . . . . 0.0 112.194 173.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.91 -56.94 4.8 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.951 0.501 . . . . 0.0 110.611 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -36.04 71.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.997 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.63 -24.39 21.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.44 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 -40.44 5.3 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 171.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.96 -52.57 55.53 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.05 -34.82 73.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 111.752 -174.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.46 -62.99 1.35 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.207 1.803 . . . . 0.0 115.76 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -103.84 -39.56 6.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -158.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.502 1.921 . . . . 0.0 112.484 -177.706 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -62.14 158.3 17.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.951 1.301 . . . . 0.0 113.358 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -139.57 171.2 14.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.773 1.229 . . . . 0.0 113.132 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -73.01 166.46 23.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.588 1.155 . . . . 0.0 112.102 165.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 30.1 ttp180 -147.23 157.37 43.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.362 1.065 . . . . 0.0 112.52 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 20.1 mmt -127.07 84.13 2.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.971 0.908 . . . . 0.0 110.472 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -34.12 -39.01 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 -177.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 140.82 15.4 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 122.142 2.246 . . . . 0.0 113.706 141.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -103.13 -43.04 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.251 1.42 . . . . 0.0 112.294 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.66 4.28 36.97 Favored Glycine 0 CA--C 1.545 1.966 0 C-N-CA 124.16 0.886 . . . . 0.0 114.751 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.09 -64.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.663 1.232 . . . . 0.0 111.272 169.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.94 33.19 14.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 114.307 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.45 168.97 3.21 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.447 1.499 . . . . 0.0 111.588 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -37.11 -43.06 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -173.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.52 -31.95 53.78 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.274 -1.517 . . . . 0.0 114.008 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -93.17 6.99 46.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.364 . . . . 0.0 113.287 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.38 -10.09 52.71 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.724 1.61 . . . . 0.0 114.388 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -46.31 -27.98 1.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -175.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -48.28 -69.1 0.13 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.564 1.945 . . . . 0.0 114.167 162.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -69.36 -36.19 76.6 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 127.688 2.395 . . . . 0.0 109.809 -173.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.24 -50.43 49.92 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.076 2.95 . . . . 0.0 111.372 167.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -73.85 -41.96 61.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 117.339 -1.744 . . . . 0.0 108.451 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.16 -23.08 67.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.322 1.849 . . . . 0.0 114.966 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.3 pt -92.13 -27.8 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 119.216 0.916 . . . . 0.0 113.238 167.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.47 -38.12 83.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.799 0.84 . . . . 0.0 111.481 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.2 -178.01 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.748 1.219 . . . . 0.0 113.862 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -63.27 -32.94 74.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 143.84 44.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.406 1.482 . . . . 0.0 113.419 -175.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -69.96 80.79 0.48 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.664 1.986 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.8 -27.38 61.1 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -158.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.76 50.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.461 1.028 . . . . 0.0 113.131 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.49 -39.33 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.985 1.314 . . . . 0.0 112.2 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -60.6 -41.5 94.87 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 121.344 -0.848 . . . . 0.0 110.846 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.75 -36.88 85.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.08 -1.438 . . . . 0.0 111.836 171.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.68 -56.19 25.15 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 120.643 1.565 . . . . 0.0 111.044 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -63.62 -37.21 86.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.67 1.123 . . . . 0.0 112.027 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -62.66 -45.79 91.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.672 0.748 . . . . 0.0 110.442 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.75 -50.63 48.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.892 1.677 . . . . 0.0 111.657 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -56.96 -41.8 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.473 -0.767 . . . . 0.0 111.308 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.16 -26.13 62.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.421 -1.312 . . . . 0.0 113.676 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.38 -31.49 71.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.372 0.987 . . . . 0.0 111.898 170.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.9 mp -80.55 -54.02 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.629 -1.294 . . . . 0.0 110.631 169.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.89 -39.42 94.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.747 1.219 . . . . 0.0 113.495 -166.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.9 t -126.87 -30.56 2.73 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.636 1.174 . . . . 0.0 113.624 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 -19.44 74.85 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.418 1.008 . . . . 0.0 113.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.267 73.6 p 49.48 49.09 20.45 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.502 1.921 . . . . 0.0 113.376 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -33.88 -61.16 0.36 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.962 2.505 . . . . 0.0 114.478 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 53.56 78.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.668 2.787 . . . . 0.0 113.318 168.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . 0.412 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -140.09 158.67 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.337 1.855 . . . . 0.0 110.513 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -74.96 64.17 1.29 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.103 2.561 . . . . 0.0 115.299 -165.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.39 -10.99 64.68 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.798 2.618 . . . . 0.0 115.038 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -59.6 -60.79 3.28 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.609 1.705 . . . . 0.0 109.963 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' THR . . . . . 0.412 ' H ' HG13 ' B' ' 49' ' ' VAL . 4.7 t -66.64 -32.9 74.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -55.81 -54.27 46.57 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.666 1.186 . . . . 0.0 110.239 170.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -60.99 -42.08 97.72 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.375 1.47 . . . . 0.0 112.44 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -58.43 -43.35 88.68 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 120.638 1.563 . . . . 0.0 112.125 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.68 -43.89 71.59 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.076 -1.64 . . . . 0.0 112.712 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 5.5 p -79.19 -26.51 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 122.771 0.429 . . . . 0.0 111.742 -178.009 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -69.96 -37.76 75.91 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.729 -1.232 . . . . 0.0 111.758 172.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.84 -57.53 5.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.439 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.76 99.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.247 0.619 . . . . 0.0 112.509 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.35 -24.55 60.14 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.607 1.163 . . . . 0.0 112.573 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -115.97 -21.92 9.27 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -58.8 -53.76 54.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.614 1.552 . . . . 0.0 111.99 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -81.07 -39.8 25.16 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.529 1.157 . . . . 0.0 112.777 -171.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -74.42 -60.85 2.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.499 -2.137 . . . . 0.0 115.529 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -108.8 -44.96 3.91 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -158.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.945 2.098 . . . . 0.0 112.032 -174.239 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -73.34 -18.71 61.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -173.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.402 ' CG ' ' H ' ' A' ' 4' ' ' MET . 46.4 t60 -151.91 178.27 9.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.66 1.584 . . . . 0.0 111.136 178.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.402 ' H ' ' CG ' ' A' ' 3' ' ' HIS . 75.7 mtm -72.38 155.14 40.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.764 0.825 . . . . 0.0 111.456 166.591 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 19.1 ttp180 -140.67 139.7 34.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.447 1.099 . . . . 0.0 111.118 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.4 mmt -126.48 71.75 1.3 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.98 0.895 . . . . 0.0 108.827 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.416 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 27.9 m -54.93 114.68 1.83 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.091 -172.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.294 4.1 mt 54.52 69.15 0.75 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.289 3.036 . . . . 0.0 114.722 175.102 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.98 -29.25 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.424 1.489 . . . . 0.0 111.28 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.61 7.78 61.41 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 125.199 1.381 . . . . 0.0 114.206 -171.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -138.15 -64.22 0.54 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.572 1.549 . . . . 0.0 110.887 166.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.17 35.08 18.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.461 1.504 . . . . 0.0 114.158 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -60.8 168.03 2.5 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.681 1.592 . . . . 0.0 111.99 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -38.68 -41.49 0.71 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -172.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.31 -33.27 49.4 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.32 -1.487 . . . . 0.0 113.596 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.71 9.51 29.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.955 2.502 . . . . 0.0 113.04 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -73.23 -9.93 59.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.422 1.489 . . . . 0.0 114.631 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.71 -31.29 0.45 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.885 1.674 . . . . 0.0 114.11 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.428 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tptt -48.12 -70.53 0.09 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.458 1.903 . . . . 0.0 113.074 164.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' H ' HD21 ' A' ' 20' ' ' LEU . 2.0 mm? -69.1 -35.14 76.13 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 127.373 2.269 . . . . 0.0 109.782 -173.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.54 -52.57 63.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.034 1.334 . . . . 0.0 108.524 169.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.67 -41.72 75.12 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 116.483 -2.087 . . . . 0.0 106.244 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -57.92 -36.64 72.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.274 2.23 . . . . 0.0 115.471 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.4 pt -80.32 -26.33 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.718 1.599 . . . . 0.0 112.656 171.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.32 -31.5 60.63 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.412 1.085 . . . . 0.0 112.498 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.7 pt -80.84 -175.0 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 125.258 1.423 . . . . 0.0 113.397 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -63.74 -26.45 68.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -173.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -142.58 139.01 31.2 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.022 1.329 . . . . 0.0 112.177 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.16 73.76 0.94 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.706 2.003 . . . . 0.0 112.212 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.54 -24.71 65.57 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -159.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.71 -37.3 63.15 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.599 -1.313 . . . . 0.0 112.573 174.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -69.82 -38.03 74.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 O-C-N 121.371 -0.831 . . . . 0.0 111.931 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -55.22 -43.52 74.59 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.145 -0.972 . . . . 0.0 110.394 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -54.95 40.53 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 116.295 -1.812 . . . . 0.0 110.558 170.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 tp -46.25 -52.95 11.56 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.611 1.55 . . . . 0.0 111.67 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -68.95 -44.22 73.42 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.715 0.769 . . . . 0.0 112.442 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 t -58.27 -41.76 85.03 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.483 1.135 . . . . 0.0 111.146 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -75.15 -51.86 12.38 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.658 1.983 . . . . 0.0 110.186 -170.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.87 -42.34 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.324 -0.86 . . . . 0.0 111.395 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.45 -27.06 63.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.973 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.45 -25.63 65.09 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.728 1.149 . . . . 0.0 111.726 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.89 -48.71 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.658 -1.276 . . . . 0.0 110.026 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.54 -45.63 65.13 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -116.08 -31.68 5.62 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.402 1.081 . . . . 0.0 112.986 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.68 -16.34 71.94 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 113.452 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m 59.37 37.09 23.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.522 1.929 . . . . 0.0 113.929 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -66.88 138.22 57.15 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.097 -1.002 . . . . 0.0 110.191 161.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -164.16 130.55 3.08 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.76 1.224 . . . . 0.0 109.95 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.6 m -136.71 -157.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.551 1.54 . . . . 0.0 109.853 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -49.91 178.72 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.044 1.338 . . . . 0.0 114.213 156.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.31 -6.55 0.99 Allowed Glycine 0 N--CA 1.474 1.2 0 O-C-N 120.17 -1.581 . . . . 0.0 116.888 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 m -48.35 -61.69 1.87 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.52 2.16 . . . . 0.0 111.597 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -66.72 -39.47 88.01 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.47 1.032 . . . . 0.0 112.738 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -51.4 -55.12 20.34 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.657 1.183 . . . . 0.0 110.802 170.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -61.66 -44.08 97.65 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 125.435 1.494 . . . . 0.0 112.386 -178.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' HE2' ' O ' ' A' ' 8' ' ' LEU . 0.5 OUTLIER -51.21 -52.29 45.86 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.781 1.628 . . . . 0.0 112.374 169.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -80.33 -26.39 38.79 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 119.79 -1.819 . . . . 0.0 113.989 -173.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.1 p -80.01 -26.98 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.938 0.79 . . . . 0.0 111.915 171.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.7 t -72.83 -32.62 65.61 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.301 -1.5 . . . . 0.0 112.604 173.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.78 -58.7 3.28 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.529 0.732 . . . . 0.0 109.095 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -38.47 81.5 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.009 176.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.51 -18.78 12.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -120.88 -21.67 6.5 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 160.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.25 -50.75 51.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 121.686 2.039 . . . . 0.0 112.879 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -67.23 -32.79 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.907 1.283 . . . . 0.0 112.103 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -90.62 -60.16 1.99 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.539 1.936 . . . . 0.0 115.905 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -113.74 -41.49 3.58 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -159.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.142 2.177 . . . . 0.0 112.114 -176.294 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -69.35 159.55 32.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.451 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -141.81 161.78 37.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.513 1.525 . . . . 0.0 111.482 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 14.6 tpt -68.64 146.87 52.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.064 0.945 . . . . 0.0 111.641 170.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -126.55 151.88 47.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.734 2.014 . . . . 0.0 110.824 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.2 mmt -121.32 10.1 10.51 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.469 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 55.4 m 50.23 -90.4 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.012 2.125 . . . . 0.0 115.095 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.31 94.24 3.63 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 121.032 1.742 . . . . 0.0 110.283 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mt -76.66 -41.76 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.729 0.812 . . . . 0.0 110.124 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.51 -0.15 29.31 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.478 1.513 . . . . 0.0 113.973 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -133.0 -75.8 0.49 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.172 1.389 . . . . 0.0 109.58 171.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 37.33 26.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.22 166.33 19.68 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.011 -1.056 . . . . 0.0 112.709 168.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -18.32 -53.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 119.576 3.176 . . . . 0.0 119.576 -161.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -76.24 -26.91 56.5 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 120.926 1.694 . . . . 0.0 113.555 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -103.23 -5.11 23.46 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.957 2.903 . . . . 0.0 112.394 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.88 -10.93 4.5 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -44.15 -30.57 0.79 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.906 1.684 . . . . 0.0 114.415 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.469 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -48.59 -67.38 0.27 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.011 1.724 . . . . 0.0 112.746 164.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -70.01 -36.79 75.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.345 2.258 . . . . 0.0 109.78 -173.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -50.59 68.13 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.036 1.334 . . . . 0.0 108.288 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -69.97 -44.79 68.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -165.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -56.54 -37.96 71.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.246 2.619 . . . . 0.0 115.581 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.83 -27.64 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.591 1.087 . . . . 0.0 112.416 172.227 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -78.31 -30.01 48.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.198 0.999 . . . . 0.0 112.905 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.2 pt -79.3 -173.7 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.39 1.476 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -61.84 -28.52 69.55 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -172.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -145.79 144.93 30.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.993 0.917 . . . . 0.0 113.014 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.28 82.44 0.75 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.5 1.92 . . . . 0.0 111.867 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -72.15 -42.1 66.35 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -158.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.96 -39.79 1.25 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.339 1.856 . . . . 0.0 116.003 -173.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -66.5 -35.73 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.523 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -57.88 -41.35 82.34 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.262 -0.899 . . . . 0.0 110.77 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.4 mp -64.21 -43.13 95.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.407 171.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.75 -56.83 13.98 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.379 1.445 . . . . 0.0 110.638 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -64.4 -37.74 88.58 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 118.555 0.616 . . . . 0.0 111.846 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.8 t -60.9 -45.74 93.42 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.368 1.08 . . . . 0.0 111.116 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.38 -54.56 23.01 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.702 2.001 . . . . 0.0 111.008 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -42.21 79.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.58 -25.43 60.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -65.61 -30.27 70.96 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.379 0.99 . . . . 0.0 110.534 172.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.29 -44.85 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.297 -0.877 . . . . 0.0 110.879 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.734 1.213 . . . . 0.0 113.614 -174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.2 t -124.04 -28.0 3.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.54 1.136 . . . . 0.0 113.523 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -12.36 59.03 Favored Glycine 0 CA--C 1.541 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 114.06 166.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.285 46.5 p 51.53 45.05 28.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.231 2.212 . . . . 0.0 114.354 173.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 155.78 5.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.425 1.09 . . . . 0.0 113.635 169.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -140.79 110.09 6.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.329 1.052 . . . . 0.0 110.762 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -161.67 164.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.107 1.763 . . . . 0.0 110.398 173.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.76 -168.7 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.51 1.924 . . . . 0.0 112.227 167.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.94 -7.24 0.16 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 126.791 2.139 . . . . 0.0 118.177 -176.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -47.06 -65.41 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.633 1.717 . . . . 0.0 111.524 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t -69.33 -35.83 76.31 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.155 -0.965 . . . . 0.0 113.109 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -49.98 -55.14 15.81 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.3 1.04 . . . . 0.0 109.92 170.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -62.81 -46.73 86.6 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 117.178 -1.392 . . . . 0.0 112.564 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -52.53 -49.89 63.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.764 1.62 . . . . 0.0 111.932 173.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.34 -24.05 32.25 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 119.967 -1.708 . . . . 0.0 114.798 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 2.6 p -81.67 -26.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.457 -0.777 . . . . 0.0 111.671 170.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.1 t -70.1 -36.34 74.79 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.699 -1.25 . . . . 0.0 111.019 171.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.68 -57.8 3.95 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.852 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -44.0 97.39 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.114 0.965 . . . . 0.0 112.708 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.74 -19.79 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.952 1.301 . . . . 0.0 112.701 -174.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.95 -32.19 4.85 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 168.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -52.77 -56.49 15.28 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.697 1.135 . . . . 0.0 112.125 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -83.3 -40.89 18.92 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.79 1.281 . . . . 0.0 113.12 -166.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.45 -55.32 12.24 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 112.242 -2.254 . . . . 0.0 114.969 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.16 -47.64 3.18 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -160.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.818 2.047 . . . . 0.0 112.712 -172.577 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -146.92 160.87 41.8 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.24 1.416 . . . . 0.0 112.384 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -156.35 163.07 39.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.518 1.527 . . . . 0.0 111.586 -176.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 tpt -66.87 145.95 54.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.303 1.041 . . . . 0.0 111.601 168.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -128.87 151.72 49.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.27 1.828 . . . . 0.0 111.283 -179.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.82 8.89 10.58 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.498 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.275 70.4 m 49.13 -83.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.525 2.33 . . . . 0.0 115.963 -176.586 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.61 91.18 2.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 122.058 2.208 . . . . 0.0 113.325 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.36 -30.04 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.091 1.756 . . . . 0.0 111.11 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 0.59 73.45 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 115.301 0.88 . . . . 0.0 115.301 -172.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.44 -58.54 0.83 Allowed 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.04 1.42 . . . . 0.0 110.438 170.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.87 42.04 27.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.551 1.54 . . . . 0.0 113.955 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.85 98.38 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 125.466 1.507 . . . . 0.0 113.489 -159.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.307 3.7 t 52.68 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 128.565 2.746 . . . . 0.0 115.204 173.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.68 -27.87 68.67 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.54 -1.35 . . . . 0.0 112.746 165.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -100.8 8.35 43.26 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.358 1.063 . . . . 0.0 112.079 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -67.49 -10.35 50.82 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.738 1.215 . . . . 0.0 114.143 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -44.55 -28.52 0.59 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -173.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.498 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.8 tptp -50.87 -67.36 0.26 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.459 1.503 . . . . 0.0 113.217 165.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.06 -36.84 78.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.879 2.472 . . . . 0.0 109.584 -173.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.37 -46.49 66.21 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 129.274 3.029 . . . . 0.0 111.567 166.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.8 -42.97 63.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.606 1.194 . . . . 0.0 108.524 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -64.32 -15.36 60.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.048 2.139 . . . . 0.0 115.701 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -99.65 -26.62 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.402 1.001 . . . . 0.0 113.52 164.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 tp -71.41 -31.61 67.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.978 1.311 . . . . 0.0 112.767 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.5 -179.47 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.545 1.138 . . . . 0.0 113.352 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -66.73 -26.41 66.98 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -170.346 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -130.61 156.36 45.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.219 1.408 . . . . 0.0 112.802 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -69.39 150.17 47.58 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.549 -0.72 . . . . 0.0 111.748 174.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -143.72 -138.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 118.121 -0.943 . . . . 0.0 112.659 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 51.11 -40.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.225 3.01 . . . . 0.0 117.176 -154.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mm -71.85 -28.39 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -170.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.33 -39.72 80.2 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.435 -0.791 . . . . 0.0 109.903 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.95 -47.77 76.46 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.799 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -55.13 23.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.586 1.155 . . . . 0.0 111.522 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -65.33 -41.16 94.23 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.785 0.802 . . . . 0.0 112.358 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t -61.68 -43.74 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.38 0.61 . . . . 0.0 110.602 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.84 -55.94 16.47 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.021 1.728 . . . . 0.0 110.87 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.41 -43.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.063 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.53 -27.77 62.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.87 -24.75 64.38 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.527 1.058 . . . . 0.0 110.744 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.44 -47.9 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.049 -1.032 . . . . 0.0 110.479 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.19 -47.0 81.48 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -172.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 t -122.17 -31.97 3.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.858 1.263 . . . . 0.0 113.296 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.18 68.67 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 121.004 -1.06 . . . . 0.0 113.802 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m 57.15 43.32 24.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 0.0 114.002 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 150.13 33.43 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.349 -0.844 . . . . 0.0 110.81 160.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -146.39 127.4 14.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.417 1.087 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.5 168.44 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.752 2.021 . . . . 0.0 109.622 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -63.53 -168.7 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.993 1.717 . . . . 0.0 111.791 165.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.5 0.2 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 118.32 2.088 . . . . 0.0 118.32 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -48.06 -63.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 120.034 1.917 . . . . 0.0 111.776 171.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -69.26 -35.6 76.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.887 -1.133 . . . . 0.0 113.404 -175.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -50.75 -55.89 14.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.156 0.982 . . . . 0.0 109.841 169.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.7 tptt -61.53 -45.93 92.1 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 125.043 1.337 . . . . 0.0 112.291 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -53.84 -51.52 63.32 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.263 1.392 . . . . 0.0 111.333 174.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.91 -27.53 39.93 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.725 -1.859 . . . . 0.0 114.135 -173.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.8 p -76.18 -28.34 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.548 -0.72 . . . . 0.0 111.686 172.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.6 t -72.31 -33.94 67.75 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.538 -1.351 . . . . 0.0 112.33 174.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.5 -55.35 16.4 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.179 0.592 . . . . 0.0 110.108 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -36.19 75.84 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.31 -21.67 15.77 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.518 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.19 -39.94 4.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 168.067 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.73 -47.02 85.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -76.41 -35.52 58.53 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.923 1.289 . . . . 0.0 112.635 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -89.7 -57.6 2.81 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.57 -46.01 4.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.927 1.291 . . . . 0.0 113.326 -170.463 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -148.94 154.9 40.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.103 1.361 . . . . 0.0 112.498 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -123.19 40.39 3.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.585 1.554 . . . . 0.0 111.968 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 50.1 tpp -62.0 122.38 15.34 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.835 -1.166 . . . . 0.0 111.155 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 29.1 ttp-105 -81.89 150.19 27.88 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.156 1.382 . . . . 0.0 112.72 -172.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.7 mmt -126.81 78.32 1.79 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.344 0.592 . . . . 0.0 110.6 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.462 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 57.9 m -51.41 113.76 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.742 0.782 . . . . 0.0 112.112 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.269 2.0 mt 49.91 72.29 0.33 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 129.841 3.257 . . . . 0.0 115.456 174.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -65.69 -32.24 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.799 1.24 . . . . 0.0 111.261 168.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.41 57.37 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.923 1.249 . . . . 0.0 114.159 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -138.49 -63.36 0.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.572 1.549 . . . . 0.0 110.462 169.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.0 39.5 7.8 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.351 1.86 . . . . 0.0 113.887 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -61.81 169.09 2.68 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.541 1.536 . . . . 0.0 111.7 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -36.88 -44.86 0.52 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.55 -34.05 58.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.287 -1.508 . . . . 0.0 113.41 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -91.47 10.37 28.0 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.609 2.364 . . . . 0.0 112.481 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.14 -8.63 54.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.78 1.632 . . . . 0.0 113.75 -177.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -45.37 -29.03 0.96 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.977 1.262 . . . . 0.0 114.027 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.462 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 6.7 tptp -48.34 -69.9 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.034 1.733 . . . . 0.0 113.341 163.406 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.435 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.99 -35.22 76.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 127.388 2.275 . . . . 0.0 110.108 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.0 -46.76 71.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.335 3.054 . . . . 0.0 111.143 168.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.84 -45.05 60.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 118.349 -1.34 . . . . 0.0 107.823 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -59.86 -31.09 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.333 1.853 . . . . 0.0 114.658 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.19 -28.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 171.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.68 -37.15 79.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.056 0.942 . . . . 0.0 111.692 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.7 pt -78.15 -177.79 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.633 1.173 . . . . 0.0 114.028 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -64.22 -26.45 68.51 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -141.54 140.71 33.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.942 1.297 . . . . 0.0 112.161 -177.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.44 74.03 1.02 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.374 1.87 . . . . 0.0 112.151 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -63.34 -36.47 83.8 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -160.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.65 -44.12 8.78 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.16 1.384 . . . . 0.0 113.824 172.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.01 -39.71 86.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.54 0.736 . . . . 0.0 111.672 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -57.12 -40.45 77.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.523 -0.735 . . . . 0.0 110.614 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 7.5 mt -62.32 -46.65 87.76 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 117.37 -1.3 . . . . 0.0 110.383 173.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.03 -54.95 27.75 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.195 1.361 . . . . 0.0 111.694 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t -68.29 -38.81 82.03 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.968 0.89 . . . . 0.0 111.495 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.25 -42.33 98.44 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.859 0.837 . . . . 0.0 110.964 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.88 -55.29 13.44 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.922 2.089 . . . . 0.0 110.695 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.92 -40.83 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 121.894 -0.504 . . . . 0.0 111.438 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.05 -26.71 62.3 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 118.805 -1.158 . . . . 0.0 113.568 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.63 -33.58 75.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.568 1.076 . . . . 0.0 111.507 171.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.32 -49.89 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 120.383 -1.448 . . . . 0.0 110.279 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.25 -43.5 81.73 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -126.62 -25.54 3.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 113.586 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.77 74.29 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 119.598 1.09 . . . . 0.0 112.99 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 58.03 45.82 17.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.469 1.908 . . . . 0.0 113.123 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -58.98 143.95 46.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.297 1.039 . . . . 0.0 110.598 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -147.06 118.98 8.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.528 1.131 . . . . 0.0 111.417 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -165.4 172.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.442 2.297 . . . . 0.0 108.823 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.02 -169.8 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.245 1.818 . . . . 0.0 113.196 161.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.59 -6.41 0.47 Allowed Glycine 0 N--CA 1.473 1.152 0 N-CA-C 117.56 1.784 . . . . 0.0 117.56 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -47.71 -64.02 0.9 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.298 2.049 . . . . 0.0 111.704 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -65.99 -37.1 85.08 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.742 -1.224 . . . . 0.0 113.197 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -52.26 -56.32 15.54 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.7 tptt -61.83 -44.85 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.506 1.522 . . . . 0.0 112.736 -177.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -54.17 -46.66 72.38 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.926 1.694 . . . . 0.0 112.313 172.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.265 1.2 pp -83.42 -24.6 31.84 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.067 -1.645 . . . . 0.0 114.94 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 p -84.03 -27.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.501 -0.75 . . . . 0.0 112.1 171.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.2 t -68.3 -36.27 79.07 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.546 -1.346 . . . . 0.0 110.813 171.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -60.72 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.451 172.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.56 99.02 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.299 1.039 . . . . 0.0 112.004 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.16 -22.14 64.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.998 1.319 . . . . 0.0 113.316 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -111.19 -31.16 7.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 160.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.883 1.674 . . . . 0.0 112.281 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -39.67 16.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.787 1.28 . . . . 0.0 113.204 -170.257 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -69.48 -56.14 8.24 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.172 -2.285 . . . . 0.0 115.391 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -114.03 -48.61 2.89 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -157.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.257 9.5 p30 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.462 1.505 . . . . 0.0 114.027 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.468 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -80.35 155.07 27.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.636 1.175 . . . . 0.0 112.824 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -123.23 144.81 49.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.389 1.476 . . . . 0.0 110.288 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.31 163.26 20.02 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.997 1.719 . . . . 0.0 109.662 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.426 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 32.8 ttp180 -136.35 144.43 44.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.317 1.047 . . . . 0.0 111.671 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.4 mmt -125.89 68.1 1.18 Allowed 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.756 0.66 . . . . 0.0 110.196 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 69.9 m -74.96 104.11 5.42 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.501 -0.762 . . . . 0.0 109.386 176.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -131.45 143.56 50.52 Favored 'General case' 0 CA--C 1.534 0.345 1 C-N-CA 135.378 5.471 . . . . 0.0 106.631 -3.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.76 -32.38 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.857 -0.527 . . . . 0.0 111.907 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.08 10.89 57.0 Favored Glycine 0 CA--C 1.546 1.986 0 C-N-CA 124.539 1.066 . . . . 0.0 114.131 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.81 -70.38 0.35 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.866 1.666 . . . . 0.0 111.108 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.16 55.87 7.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.54 2.336 . . . . 0.0 115.253 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 p90 -128.77 159.61 35.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 178.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.312 8.9 t 21.96 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 128.742 2.817 . . . . 0.0 117.185 -157.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -68.7 -17.78 64.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.247 1.419 . . . . 0.0 113.095 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -112.17 1.21 16.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.353 2.261 . . . . 0.0 112.031 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.85 -15.45 61.87 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -43.91 -28.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.662 1.585 . . . . 0.0 114.408 -176.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.426 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.5 tptt -47.7 -71.8 0.06 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.417 1.487 . . . . 0.0 111.933 164.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -69.29 -36.0 76.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.859 1.663 . . . . 0.0 110.42 -174.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -51.05 68.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.52 -43.36 69.79 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 116.262 -2.175 . . . . 0.0 105.743 -165.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -54.65 -44.2 73.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.332 2.253 . . . . 0.0 115.597 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -76.2 -25.78 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.934 1.697 . . . . 0.0 112.079 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.69 -30.32 41.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.685 0.794 . . . . 0.0 112.744 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 pt -77.34 -174.31 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 124.823 1.249 . . . . 0.0 112.856 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -61.34 -30.73 70.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -143.13 145.23 32.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.754 1.222 . . . . 0.0 112.443 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.05 67.84 0.44 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.616 2.366 . . . . 0.0 113.289 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -57.39 -25.49 59.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.139 2.176 . . . . 0.0 116.765 -163.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.74 -40.43 54.59 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.106 1.321 . . . . 0.0 112.722 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mm -67.9 -30.54 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.77 -43.9 90.51 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.462 -0.774 . . . . 0.0 110.797 171.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.21 -39.67 95.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.832 172.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -52.54 64.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.696 1.589 . . . . 0.0 111.043 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 t -67.31 -37.1 82.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 122.074 0.94 . . . . 0.0 112.216 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -62.91 -44.47 96.01 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 121.713 0.768 . . . . 0.0 110.811 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.49 -52.05 50.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.592 1.957 . . . . 0.0 110.725 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.85 -40.69 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 121.85 -0.532 . . . . 0.0 111.437 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.69 -25.45 62.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.364 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -61.8 -32.1 72.37 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.738 1.154 . . . . 0.0 112.146 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -77.32 -53.42 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 121.221 -0.925 . . . . 0.0 110.616 170.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -41.22 86.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -166.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.2 t -126.21 -28.91 3.07 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.605 1.162 . . . . 0.0 113.54 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.94 -15.7 69.62 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-N 119.417 1.008 . . . . 0.0 113.592 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.3 p 50.07 55.3 9.65 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.274 1.829 . . . . 0.0 112.189 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -32.44 -56.87 0.34 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 128.196 2.598 . . . . 0.0 116.246 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 52.22 68.15 0.86 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.185 2.194 . . . . 0.0 112.928 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 162.72 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.649 1.98 . . . . 0.0 109.818 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -64.3 -172.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 112.093 170.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.01 -6.39 0.13 Allowed Glycine 0 N--CA 1.473 1.105 0 N-CA-C 118.596 2.199 . . . . 0.0 118.596 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.6 m -45.4 -67.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.703 1.752 . . . . 0.0 111.872 168.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -70.72 -32.12 69.22 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.319 -0.863 . . . . 0.0 112.548 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -53.95 -55.41 27.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.417 1.087 . . . . 0.0 110.507 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -62.89 -44.49 95.97 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.207 1.403 . . . . 0.0 111.96 -179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -53.12 -48.38 67.91 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.91 1.232 . . . . 0.0 111.399 170.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.3 -40.19 74.41 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 119.801 -1.812 . . . . 0.0 112.976 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.6 p -80.46 -26.84 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 122.891 0.477 . . . . 0.0 111.964 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 1.9 t -70.99 -33.24 70.23 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.693 -1.254 . . . . 0.0 112.117 172.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -50.4 -55.22 16.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.583 0.753 . . . . 0.0 109.98 176.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.1 84.71 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.257 -0.402 . . . . 0.0 112.041 174.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.38 -19.96 17.15 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.491 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.5 mmt-85 -119.41 -23.34 6.7 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 165.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -68.85 -49.42 58.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.81 2.095 . . . . 0.0 112.85 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -69.82 -33.86 72.89 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.041 1.336 . . . . 0.0 112.171 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -93.55 -62.15 1.42 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -107.16 -41.66 5.08 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -156.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.367 2.267 . . . . 0.0 111.968 -176.266 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 54.83 46.37 24.65 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.395 1.478 . . . . 0.0 114.339 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -76.42 43.0 0.29 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.889 1.676 . . . . 0.0 113.633 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.01 94.95 1.53 Allowed 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.813 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . 0.414 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 40.7 ttp180 -55.58 145.25 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.757 1.623 . . . . 0.0 112.821 -174.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 18.7 mmt -123.37 74.93 1.28 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-O 121.714 0.768 . . . . 0.0 110.547 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.447 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 65.9 m -79.38 102.9 8.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.47 140.15 46.01 Favored 'General case' 0 CA--C 1.536 0.423 1 C-N-CA 136.194 5.798 . . . . 0.0 106.558 -0.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -89.12 -32.89 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.601 0.637 . . . . 0.0 112.37 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 8.84 58.82 Favored Glycine 0 CA--C 1.543 1.788 0 C-N-CA 123.981 0.8 . . . . 0.0 114.071 -171.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -139.82 -65.54 0.47 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.669 1.588 . . . . 0.0 109.861 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 39.64 19.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.176 1.791 . . . . 0.0 113.487 -177.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -61.52 169.08 2.48 Favored 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 125.606 1.562 . . . . 0.0 112.263 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -39.02 -43.14 0.96 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -77.82 -31.28 51.58 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.273 -1.517 . . . . 0.0 113.696 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -93.55 10.33 33.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.722 2.409 . . . . 0.0 112.738 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.17 -11.17 60.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.073 1.349 . . . . 0.0 113.947 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -44.6 -27.82 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.819 1.247 . . . . 0.0 114.26 -176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.447 ' HE2' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptt -47.91 -69.42 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.868 1.667 . . . . 0.0 113.049 163.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.444 HD23 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.06 -34.16 75.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.805 2.442 . . . . 0.0 109.947 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.2 -43.18 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 128.472 2.709 . . . . 0.0 110.982 173.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.56 -41.1 61.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.909 -1.516 . . . . 0.0 107.389 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -59.59 -33.45 71.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.344 1.458 . . . . 0.0 114.817 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 pt -82.29 -28.2 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.791 1.632 . . . . 0.0 112.871 169.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -73.06 -31.12 64.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.6 pt -80.81 -172.09 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.676 1.19 . . . . 0.0 113.909 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -47.44 -43.72 24.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.737 2.415 . . . . 0.0 114.79 -172.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -152.52 160.51 43.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.081 1.353 . . . . 0.0 111.747 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.37 139.62 57.57 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.562 1.145 . . . . 0.0 111.798 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -131.16 -31.3 1.68 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -162.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.52 39.24 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.25 1.387 . . . . 0.0 112.705 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.36 -39.07 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.94 1.296 . . . . 0.0 112.007 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -60.0 -42.68 94.81 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.444 -0.785 . . . . 0.0 110.52 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.75 -43.97 97.28 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.235 171.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -55.9 -53.9 51.23 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.347 1.43 . . . . 0.0 111.703 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -67.53 -38.52 84.34 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.835 0.826 . . . . 0.0 111.639 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.0 -44.03 98.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.841 0.829 . . . . 0.0 110.584 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.75 -51.41 34.32 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.632 1.573 . . . . 0.0 111.715 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.13 -40.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.494 -0.754 . . . . 0.0 111.324 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.63 -26.82 62.72 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.844 -1.142 . . . . 0.0 113.344 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -66.35 -24.33 66.49 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.09 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.21 -52.48 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 120.77 -1.206 . . . . 0.0 110.701 167.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.3 -40.49 90.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -122.7 -30.16 3.91 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.649 1.179 . . . . 0.0 113.488 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.24 -25.99 74.99 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 119.812 1.187 . . . . 0.0 113.127 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.262 81.1 p 57.85 38.17 27.1 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.677 2.391 . . . . 0.0 112.542 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -49.17 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.95 1.3 . . . . 0.0 112.711 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 25.14 65.54 0.05 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.827 2.851 . . . . 0.0 116.251 165.234 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.17 -161.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.266 1.027 . . . . 0.0 111.654 173.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.95 173.76 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.542 1.537 . . . . 0.0 114.48 159.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.5 -7.98 0.73 Allowed Glycine 0 N--CA 1.476 1.315 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -46.63 -63.08 1.1 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.471 1.635 . . . . 0.0 110.94 167.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -72.42 -31.48 65.54 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.031 -1.043 . . . . 0.0 113.028 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -55.17 -54.7 39.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.294 1.038 . . . . 0.0 110.175 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.214 1.406 . . . . 0.0 112.551 -179.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.387 1.449 . . . . 0.0 111.149 169.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -70.75 -35.54 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 120.135 -1.603 . . . . 0.0 113.22 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.5 p -82.86 -26.83 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.223 0.609 . . . . 0.0 112.092 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.8 t -70.02 -34.46 73.31 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.774 -1.204 . . . . 0.0 112.061 173.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.73 -58.04 4.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.673 0.789 . . . . 0.0 109.652 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -37.05 78.79 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -55.34 -19.5 9.0 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.529 0.732 . . . . 0.0 112.873 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -114.91 -40.2 3.56 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -58.77 -49.29 78.22 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.88 -35.96 62.29 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.898 1.279 . . . . 0.0 112.36 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -84.69 -60.25 2.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.57 -49.32 3.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -163.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.897 1.679 . . . . 0.0 112.737 -168.714 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -147.06 173.67 12.25 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.604 1.562 . . . . 0.0 112.228 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -131.13 160.28 35.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.445 1.498 . . . . 0.0 111.65 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.3 mtp -68.03 148.72 50.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.718 0.807 . . . . 0.0 111.846 170.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 ttp180 -128.38 150.85 49.93 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.531 1.932 . . . . 0.0 110.675 177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -119.82 10.16 11.53 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.482 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 67.5 m 50.93 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.214 2.206 . . . . 0.0 114.71 -176.256 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.79 99.71 4.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.188 2.267 . . . . 0.0 111.426 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.6 -35.18 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.178 1.391 . . . . 0.0 111.428 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.11 3.28 51.47 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 125.148 1.356 . . . . 0.0 115.493 -177.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.81 -43.26 0.35 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 118.983 1.391 . . . . 0.0 112.482 166.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.77 47.14 15.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.722 2.409 . . . . 0.0 116.053 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.43 108.45 19.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -157.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.322 3.2 t 52.39 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 129.242 3.017 . . . . 0.0 114.744 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.89 -28.23 68.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.501 1.12 . . . . 0.0 112.537 167.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -104.41 9.17 35.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.471 1.108 . . . . 0.0 112.753 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -71.27 -11.98 61.21 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -42.84 -31.19 0.46 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.843 1.657 . . . . 0.0 114.533 -174.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.4 tptp -52.27 -64.98 0.64 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.863 1.665 . . . . 0.0 112.907 167.47 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -70.16 -35.15 73.81 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.438 2.295 . . . . 0.0 109.735 -173.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.77 -52.35 64.26 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.065 1.346 . . . . 0.0 108.527 167.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.01 -44.75 72.13 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -164.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -56.02 -39.82 72.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 128.032 2.533 . . . . 0.0 114.985 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -77.49 -27.28 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.856 1.207 . . . . 0.0 112.668 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.3 tp -76.69 -30.69 56.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.342 1.057 . . . . 0.0 112.458 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.54 -174.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 125.299 1.44 . . . . 0.0 112.987 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.3 -29.25 69.75 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -168.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -151.73 152.24 32.47 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.207 1.003 . . . . 0.0 112.594 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -68.55 107.42 2.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 111.614 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -93.13 -24.67 18.18 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 -163.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.1 -34.4 21.84 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 119.945 1.248 . . . . 0.0 113.714 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.6 -36.43 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 124.179 0.992 . . . . 0.0 112.373 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -54.58 -42.95 71.67 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.913 -1.117 . . . . 0.0 110.408 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.17 -45.87 86.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.216 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.87 -55.81 15.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.335 1.425 . . . . 0.0 112.084 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -66.9 -39.82 87.55 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.917 0.865 . . . . 0.0 111.859 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -62.39 -44.7 95.84 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.42 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.35 -54.14 37.69 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.174 1.79 . . . . 0.0 110.877 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.36 -40.4 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 121.595 -0.691 . . . . 0.0 111.981 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.37 -24.06 61.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 118.783 -1.167 . . . . 0.0 113.504 174.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.41 -31.54 72.79 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.583 1.083 . . . . 0.0 111.055 169.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.03 -47.85 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.512 -1.368 . . . . 0.0 110.702 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.47 -49.83 61.82 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 t -117.83 -27.79 6.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.593 1.157 . . . . 0.0 113.249 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.58 -16.42 73.92 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.414 1.006 . . . . 0.0 113.229 170.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.318 61.9 p 54.68 35.95 25.02 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.519 2.328 . . . . 0.0 114.509 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -64.85 133.82 52.73 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.113 0.965 . . . . 0.0 110.765 171.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -156.06 112.59 3.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.41 1.884 . . . . 0.0 108.227 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.9 -172.27 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.515 1.126 . . . . 0.0 112.042 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -66.44 36.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 129.62 3.168 . . . . 0.0 117.051 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.1 -6.63 59.17 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 126.177 1.846 . . . . 0.0 115.07 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 m -60.78 -58.99 6.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.801 1.801 . . . . 0.0 110.873 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -65.15 -33.2 75.45 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.688 -1.257 . . . . 0.0 112.916 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -55.88 -58.31 8.41 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.554 1.142 . . . . 0.0 110.864 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.1 tptt -58.92 -43.15 91.06 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.914 1.286 . . . . 0.0 112.445 -179.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -52.86 -52.38 57.5 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.043 1.292 . . . . 0.0 111.517 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.94 -25.43 43.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 119.505 -1.997 . . . . 0.0 114.85 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.0 p -81.96 -27.06 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.628 -0.67 . . . . 0.0 111.263 173.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.8 t -68.76 -33.02 73.2 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.747 -1.221 . . . . 0.0 111.504 171.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.99 -57.65 5.47 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.281 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -38.69 85.11 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.389 0.43 . . . . 0.0 111.231 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.22 -18.61 16.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.721 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -111.12 -38.34 5.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 161.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -61.55 -41.49 97.44 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 112.756 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.05 -35.75 42.08 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.603 1.561 . . . . 0.0 112.607 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -103.25 -63.25 1.19 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -174.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -75.25 -45.86 37.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.827 1.651 . . . . 0.0 114.593 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 m120 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.178 1.791 . . . . 0.0 112.813 -169.794 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -82.8 159.08 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.874 1.27 . . . . 0.0 112.833 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -129.63 122.49 29.15 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.233 1.413 . . . . 0.0 110.429 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.9 tpp -100.01 161.49 13.57 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.801 1.641 . . . . 0.0 111.254 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -131.6 146.8 52.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.133 . . . . 0.0 112.628 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.0 mmt -121.51 12.89 10.87 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' SER . . . . . 0.448 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 68.8 m 46.36 -94.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.544 2.338 . . . . 0.0 115.187 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.423 ' O ' ' HE3' ' B' ' 56' ' ' LYS . 5.5 mt -125.98 86.06 2.48 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.22 1.827 . . . . 0.0 110.594 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.21 -37.82 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.476 -0.765 . . . . 0.0 110.515 174.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.71 3.26 52.69 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.862 1.22 . . . . 0.0 114.122 -170.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.91 -59.69 0.59 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.656 1.182 . . . . 0.0 110.328 169.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.84 42.72 32.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.776 2.031 . . . . 0.0 114.257 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 108.99 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.884 0.874 . . . . 0.0 112.839 -158.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.312 3.4 t 49.88 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.738 2.815 . . . . 0.0 115.444 177.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.64 -32.1 73.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.0 1.32 . . . . 0.0 112.516 167.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -101.73 8.87 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.4 1.08 . . . . 0.0 112.479 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.79 -10.82 58.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.9 pm0 -44.31 -31.03 0.91 Allowed 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.397 1.453 . . . . 0.0 114.065 -174.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' LYS . . . . . 0.448 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.1 tptp -47.91 -67.74 0.25 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.504 1.522 . . . . 0.0 113.523 165.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' LEU . . . . . 0.419 HD23 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.61 -37.5 79.84 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 127.244 2.217 . . . . 0.0 109.379 -173.173 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.92 -48.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 129.246 3.019 . . . . 0.0 111.14 168.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.73 -44.79 55.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.543 -1.263 . . . . 0.0 108.095 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -59.15 -37.92 78.44 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.169 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 pt -79.24 -29.36 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 173.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -71.74 -31.61 66.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 pt -84.16 -170.86 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.616 1.166 . . . . 0.0 114.058 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.18 -35.38 67.17 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.545 2.338 . . . . 0.0 115.029 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -148.93 145.19 27.28 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.889 1.276 . . . . 0.0 112.211 -176.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.42 71.61 0.66 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.126 2.171 . . . . 0.0 112.168 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -59.73 -36.05 75.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -162.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.17 -45.36 1.32 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.027 1.731 . . . . 0.0 114.09 169.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.59 -39.13 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 121.234 -0.916 . . . . 0.0 111.542 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -57.85 -40.81 81.04 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.771 -0.581 . . . . 0.0 110.684 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 11.2 mt -58.55 -48.33 81.25 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.528 -1.225 . . . . 0.0 110.757 170.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -53.13 -55.74 21.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.96 1.255 . . . . 0.0 111.145 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -66.07 -39.26 89.93 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 119.464 1.029 . . . . 0.0 112.285 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -63.14 -41.79 99.36 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.966 0.888 . . . . 0.0 111.023 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.53 -55.79 13.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.813 2.045 . . . . 0.0 110.824 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.08 -41.79 81.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 121.757 -0.59 . . . . 0.0 111.442 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.8 -28.48 63.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.462 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.27 -25.05 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.528 1.058 . . . . 0.0 111.366 174.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.13 -48.48 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.673 -1.267 . . . . 0.0 110.467 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.64 -43.07 81.23 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -123.54 -31.89 3.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.595 1.158 . . . . 0.0 113.257 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.24 -20.21 69.05 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.047 -1.033 . . . . 0.0 113.245 172.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.68 45.27 19.3 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.704 2.002 . . . . 0.0 113.834 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -59.99 144.94 47.97 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.262 -0.899 . . . . 0.0 110.685 161.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -143.91 123.69 13.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.488 1.115 . . . . 0.0 111.837 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 p -164.17 169.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.372 2.269 . . . . 0.0 109.209 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.97 -162.51 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.15 1.38 . . . . 0.0 112.116 166.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.42 -7.4 0.88 Allowed Glycine 0 N--CA 1.47 0.959 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 -171.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 60.2 m -47.22 -65.89 0.49 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.469 1.634 . . . . 0.0 111.364 168.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.93 -35.58 78.68 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.97 -1.081 . . . . 0.0 113.098 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -50.67 -54.81 20.03 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.68 1.192 . . . . 0.0 110.05 170.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -64.22 -44.98 90.23 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.534 1.533 . . . . 0.0 113.225 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.423 ' HE3' ' O ' ' B' ' 8' ' ' LEU . 0.7 OUTLIER -55.54 -44.85 77.11 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.118 1.781 . . . . 0.0 111.784 172.448 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.66 -42.31 67.66 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.301 -1.5 . . . . 0.0 112.653 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' VAL . . . . . . . . . . . . . 4.9 p -79.6 -27.26 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.889 -0.507 . . . . 0.0 111.991 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -68.47 -37.2 79.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.074 -1.016 . . . . 0.0 111.325 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -59.58 3.18 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.906 175.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.33 98.12 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.607 0.763 . . . . 0.0 111.754 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.53 -19.49 63.69 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.785 1.234 . . . . 0.0 113.088 -174.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -110.55 -33.5 6.57 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 159.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -53.46 -52.22 60.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.504 1.956 . . . . 0.0 112.461 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -84.78 -41.0 16.57 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.868 1.318 . . . . 0.0 113.365 -167.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -64.45 -52.28 58.85 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.144 -2.298 . . . . 0.0 114.306 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.83 -85.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.599 1.56 . . . . 0.0 114.121 -170.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 127.907 2.483 . . . . 0.0 112.025 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 tmm? . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 121.09 0.472 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -70.37 152.32 44.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.788 1.235 . . . . 0.0 113.355 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -119.14 11.89 12.51 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.534 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.284 66.2 m 46.15 -89.29 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.831 2.452 . . . . 0.0 115.407 -177.595 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.23 93.47 3.08 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 122.111 2.232 . . . . 0.0 113.331 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.09 -32.23 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 126.447 1.899 . . . . 0.0 111.042 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.32 70.95 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.652 1.12 . . . . 0.0 115.265 -171.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -123.52 -68.11 0.89 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.171 1.486 . . . . 0.0 109.709 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.59 31.88 18.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.151 1.381 . . . . 0.0 114.357 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -56.79 164.39 1.54 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 126.152 1.781 . . . . 0.0 111.545 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -35.59 -43.95 0.29 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.78 -33.46 60.17 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.129 -1.607 . . . . 0.0 113.716 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.57 6.29 44.3 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.877 2.471 . . . . 0.0 113.119 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.06 -10.74 60.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.143 1.377 . . . . 0.0 113.881 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.5 pm0 -45.16 -27.15 0.57 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.9 tptp -51.66 -67.74 0.23 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.021 1.328 . . . . 0.0 113.428 164.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -67.05 -39.3 86.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.656 2.382 . . . . 0.0 109.592 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -51.65 -48.25 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 130.147 3.379 . . . . 0.0 111.671 168.102 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -75.83 -41.06 53.68 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.55 -174.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.4 HD21 ' HE2' ' A' ' 19' ' ' LYS . 79.1 m-20 -58.89 -37.58 76.91 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.741 1.617 . . . . 0.0 113.923 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 pt -79.27 -27.63 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.533 1.06 . . . . 0.0 112.976 171.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.55 -31.85 63.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.895 0.878 . . . . 0.0 112.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 N--CA 1.477 0.924 0 C-N-CA 124.64 1.176 . . . . 0.0 113.592 175.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.8 t80 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.21 33.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.249 1.023 . . . . 0.0 112.345 172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.494 HG23 HG21 ' B' ' 32' ' ' ILE . 1.7 mp -64.6 -37.58 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.8 1.64 . . . . 0.0 112.547 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.73 -45.19 90.18 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.383 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.76 -44.16 93.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 116.939 -1.505 . . . . 0.0 111.306 170.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.9 -53.33 54.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.927 1.694 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -67.77 -37.14 81.7 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 119.471 1.032 . . . . 0.0 112.144 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -41.97 98.77 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 0.0 111.326 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -69.9 -53.85 16.1 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 127.227 2.211 . . . . 0.0 110.247 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -57.0 -41.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.453 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.11 -25.54 61.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 118.584 -1.246 . . . . 0.0 113.426 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -26.47 67.29 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.557 1.071 . . . . 0.0 112.004 171.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.56 -51.52 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.523 -1.361 . . . . 0.0 110.384 167.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.8 -43.98 91.4 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.804 1.241 . . . . 0.0 113.629 -168.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -123.95 -29.03 3.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.932 1.293 . . . . 0.0 113.129 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -18.24 72.81 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 113.199 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.293 67.4 p 52.51 42.51 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.893 2.077 . . . . 0.0 114.134 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -55.64 142.4 34.04 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.726 0.81 . . . . 0.0 110.975 165.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -152.86 121.29 6.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.426 1.491 . . . . 0.0 109.976 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -162.23 165.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.868 . . . . 0.0 109.194 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -76.7 60.81 1.74 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.092 2.557 . . . . 0.0 114.35 -168.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.7 -8.88 67.19 Favored Glycine 0 N--CA 1.468 0.775 0 C-N-CA 127.598 2.523 . . . . 0.0 115.123 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 m -60.55 -58.48 8.32 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.212 2.006 . . . . 0.0 110.643 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.505 ' H ' HG13 ' A' ' 49' ' ' VAL . 6.2 t -66.53 -34.75 78.62 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -54.99 -54.38 43.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.266 1.026 . . . . 0.0 110.61 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.5 tptt -60.04 -43.06 95.59 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 125.429 1.492 . . . . 0.0 112.008 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.84 -45.43 86.25 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.244 1.384 . . . . 0.0 112.08 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.77 -42.94 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.223 -1.548 . . . . 0.0 112.351 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -78.76 -27.73 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.244 0.617 . . . . 0.0 112.025 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 t -71.44 -36.51 71.29 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.985 -1.072 . . . . 0.0 112.125 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -50.94 -55.88 15.07 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.326 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -40.0 94.35 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.781 0.719 . . . . 0.0 111.807 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.79 -18.54 32.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -33.54 6.14 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 165.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.82 -50.69 61.79 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.107 1.321 . . . . 0.0 113.895 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -70.35 -33.58 71.62 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.014 1.325 . . . . 0.0 112.514 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.89 -60.69 1.49 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -97.85 -43.04 7.28 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -160.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.403 2.281 . . . . 0.0 112.176 -174.361 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 13.2 ttp180 -66.28 149.82 49.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.144 0.978 . . . . 0.0 112.476 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.0 14.19 10.65 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.5 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.281 70.7 m 48.02 -86.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.969 2.508 . . . . 0.0 116.1 -176.842 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.86 106.3 6.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.179 2.718 . . . . 0.0 113.721 168.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -80.12 -38.46 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 111.733 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.69 -3.3 26.1 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.053 1.311 . . . . 0.0 115.709 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -140.73 -53.13 0.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.024 1.412 . . . . 0.0 110.564 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.12 44.39 19.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.215 1.806 . . . . 0.0 114.808 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -96.62 102.44 14.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -160.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.322 4.2 t 52.88 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.095 2.958 . . . . 0.0 115.605 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.53 -23.7 63.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.714 1.206 . . . . 0.0 112.519 166.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.46 4.99 31.21 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.466 1.507 . . . . 0.0 112.384 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -68.95 -10.72 58.79 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.37 -27.93 0.77 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -173.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.5 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.7 tptp -53.04 -66.03 0.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.201 1.4 . . . . 0.0 113.048 166.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.523 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.14 -38.2 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.493 2.317 . . . . 0.0 109.519 -173.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -52.13 -48.38 64.89 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 129.707 3.203 . . . . 0.0 111.571 167.506 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -72.88 -44.91 60.74 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.99 -34.08 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.598 1.959 . . . . 0.0 114.981 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -82.27 -28.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 119.088 0.858 . . . . 0.0 112.563 171.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -75.05 -31.1 61.2 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 pt -77.24 -177.41 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 0.0 113.405 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -61.28 -31.93 71.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -144.24 146.35 32.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.925 1.29 . . . . 0.0 112.1 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.27 141.33 58.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.08 0.952 . . . . 0.0 111.854 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -136.66 -29.68 0.93 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -161.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.89 37.01 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.502 1.501 . . . . 0.0 114.03 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.494 HG21 HG23 ' A' ' 32' ' ' ILE . 22.6 mm -71.47 -28.64 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.4 -47.41 75.94 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.8 -55.84 29.96 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 110.959 170.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 -51.85 26.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.535 1.134 . . . . 0.0 112.361 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.3 t -70.79 -39.9 72.86 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 121.509 -0.745 . . . . 0.0 111.954 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -59.17 -41.69 89.04 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.045 0.926 . . . . 0.0 110.679 174.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.59 -52.96 15.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.918 2.087 . . . . 0.0 110.692 -173.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.65 -42.72 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 121.613 -0.679 . . . . 0.0 111.161 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.13 -26.24 61.15 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 119.355 -0.938 . . . . 0.0 113.45 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.67 -24.46 63.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.571 1.078 . . . . 0.0 111.167 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.35 -46.35 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.915 -1.116 . . . . 0.0 110.358 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -64.45 -52.13 59.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -118.47 -30.31 5.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 112.746 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.37 -15.95 70.86 Favored Glycine 0 CA--C 1.54 1.656 0 O-C-N 121.229 -0.92 . . . . 0.0 114.015 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.3 p 53.02 41.38 32.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.176 2.19 . . . . 0.0 115.363 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.93 145.53 35.38 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.597 -0.689 . . . . 0.0 110.584 160.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -144.68 126.68 15.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.278 1.031 . . . . 0.0 111.774 -176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -163.27 169.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 127.189 2.195 . . . . 0.0 109.278 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -60.64 -171.03 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.935 1.694 . . . . 0.0 112.239 165.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.89 -7.41 0.3 Allowed Glycine 0 N--CA 1.474 1.176 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -46.4 -67.41 0.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.526 1.663 . . . . 0.0 111.219 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -65.31 -41.58 93.89 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.182 0.901 . . . . 0.0 112.257 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -46.82 -53.2 12.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.211 1.004 . . . . 0.0 110.764 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.498 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.1 tptt -61.9 -41.67 98.18 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 125.079 1.352 . . . . 0.0 112.499 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.441 ' O ' HD23 ' B' ' 60' ' ' LEU . 13.1 mptt -60.71 -46.87 88.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.868 1.667 . . . . 0.0 112.095 172.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.28 -37.15 77.71 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 119.432 -2.042 . . . . 0.0 111.915 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.9 p -81.17 -28.36 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.521 0.728 . . . . 0.0 112.454 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.14 -32.24 66.71 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.331 -1.481 . . . . 0.0 112.269 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.441 HD23 ' O ' ' B' ' 56' ' ' LYS . 2.1 mm? -49.15 -56.09 10.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.495 175.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.53 83.4 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.225 174.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.86 -24.69 16.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 119.032 -0.509 . . . . 0.0 112.106 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -46.64 4.73 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 170.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.09 -47.62 83.81 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -74.57 -32.67 62.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.795 1.238 . . . . 0.0 112.421 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.51 -61.65 1.37 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.33 -45.15 15.3 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -168.157 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 31.8 m120 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.971 1.708 . . . . 0.0 113.198 -173.194 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 18.9 ttp180 -128.19 151.76 48.86 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.288 1.835 . . . . 0.0 111.14 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.3 mmt -122.26 11.55 10.11 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.542 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.27 66.5 m 45.98 -92.34 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.293 2.237 . . . . 0.0 115.516 -177.333 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.31 91.94 3.35 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 121.18 1.809 . . . . 0.0 110.817 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.79 -32.69 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.507 1.123 . . . . 0.0 111.158 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 4.44 57.23 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.003 1.287 . . . . 0.0 114.765 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -57.43 0.78 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.759 1.28 . . . . 0.0 110.168 162.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 49.08 36.63 9.09 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.08 1.752 . . . . 0.0 113.471 -178.44 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.29 170.82 2.12 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 126.265 1.826 . . . . 0.0 111.998 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -39.03 -42.72 0.92 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -76.53 -35.01 58.53 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.295 -1.503 . . . . 0.0 113.467 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -86.66 8.09 23.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.304 2.241 . . . . 0.0 113.717 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.41 -9.63 58.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.467 -1.395 . . . . 0.0 113.901 -172.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.82 -32.57 0.63 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.743 1.617 . . . . 0.0 114.051 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.9 tptp -49.99 -67.44 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.046 1.738 . . . . 0.0 113.006 166.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.13 -36.23 74.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.321 2.249 . . . . 0.0 109.763 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -54.06 -51.28 64.6 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.821 1.248 . . . . 0.0 108.446 167.762 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 22' ' ' LEU . 1.9 tm? -68.74 -44.59 73.46 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -166.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -58.75 -24.34 61.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 128.351 2.661 . . . . 0.0 116.32 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.0 pt -92.77 -27.03 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.713 1.597 . . . . 0.0 113.419 167.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -72.98 -31.04 64.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.012 1.325 . . . . 0.0 112.696 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 125.068 1.347 . . . . 0.0 113.623 176.225 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 CA--C 1.552 1.054 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.55 -43.13 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.539 3.136 . . . . 0.0 116.961 -153.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' A' ' 64' ' ' PHE . 10.5 mm -78.98 -29.55 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 125.048 1.339 . . . . 0.0 114.315 -166.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.6 -36.99 77.35 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.125 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.65 -47.32 84.22 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.356 171.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.13 -55.47 10.22 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.827 1.194 . . . . 0.0 112.46 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -66.75 -37.49 84.75 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 119.338 0.972 . . . . 0.0 111.958 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -42.62 96.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 122.027 0.918 . . . . 0.0 111.254 174.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -70.45 -54.21 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 127.012 2.125 . . . . 0.0 110.561 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.16 -42.25 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.877 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -72.21 -28.34 63.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.353 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -67.8 -23.37 65.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.216 0.916 . . . . 0.0 111.445 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.44 -46.74 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 172.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.46 -46.76 81.73 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.916 1.287 . . . . 0.0 113.533 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -125.76 -28.66 3.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.797 1.239 . . . . 0.0 113.488 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.57 74.28 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 113.426 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.05 44.52 22.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.589 1.956 . . . . 0.0 113.899 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.0 143.38 43.42 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.266 -0.896 . . . . 0.0 110.424 161.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -145.84 124.77 12.73 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.339 1.056 . . . . 0.0 111.597 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 p -164.56 171.29 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.438 2.295 . . . . 0.0 108.943 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -60.35 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.607 1.563 . . . . 0.0 111.987 164.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.83 -6.31 0.21 Allowed Glycine 0 N--CA 1.473 1.144 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -47.64 -65.59 0.54 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.027 1.914 . . . . 0.0 111.623 169.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -66.22 -36.27 82.6 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.833 -1.167 . . . . 0.0 113.071 -174.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -52.57 -56.18 17.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.737 1.215 . . . . 0.0 110.314 170.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.8 tptt -62.14 -43.6 98.47 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 117.194 -1.384 . . . . 0.0 112.725 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' O ' HG22 ' A' ' 59' ' ' THR . 1.3 mptm? -51.69 -55.58 18.72 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.701 1.591 . . . . 0.0 111.427 170.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pp -80.42 -21.69 41.95 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.83 -1.794 . . . . 0.0 114.734 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.4 p -83.91 -25.84 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.779 -0.576 . . . . 0.0 111.817 170.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.5 t -70.01 -34.2 73.0 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.718 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.81 -57.2 4.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -38.07 76.51 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 119.176 -0.44 . . . . 0.0 112.019 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.6 -23.71 18.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.528 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -117.46 -25.76 6.88 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 165.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CG ' HD11 ' A' ' 32' ' ' ILE . 52.6 t80 -66.33 -48.14 71.24 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 121.679 2.036 . . . . 0.0 113.137 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -72.06 -35.05 69.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.152 1.381 . . . . 0.0 112.219 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.69 -63.07 1.24 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -102.96 -42.9 5.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -158.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.276 1.431 . . . . 0.0 113.255 -169.809 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 2.0 ttp180 -68.3 150.15 48.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.524 1.13 . . . . 0.0 112.921 -168.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.4 mmt -121.71 16.6 11.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.271 92.0 p 42.74 -92.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.348 2.659 . . . . 0.0 115.298 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -132.7 95.12 3.53 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 121.065 1.757 . . . . 0.0 110.735 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -77.18 -30.92 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.473 1.509 . . . . 0.0 111.493 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.96 54.86 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.89 1.71 . . . . 0.0 114.944 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 -62.21 1.04 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.187 1.494 . . . . 0.0 108.956 166.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 35.47 25.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.012 1.725 . . . . 0.0 113.812 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -57.14 162.98 2.31 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.793 1.637 . . . . 0.0 111.791 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -34.96 -43.18 0.18 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.39 -30.1 60.02 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.325 -1.484 . . . . 0.0 113.682 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.55 5.93 49.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.582 2.753 . . . . 0.0 113.098 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.53 -10.62 60.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.958 1.303 . . . . 0.0 114.332 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.729 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.3 pm0 -42.88 -27.99 0.22 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 114.138 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.442 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 3.3 tptp -52.07 -68.29 0.18 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.628 1.571 . . . . 0.0 112.797 165.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.524 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.41 -38.03 80.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.695 2.398 . . . . 0.0 109.391 -173.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.729 HD23 ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -55.57 -49.82 71.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.477 1.911 . . . . 0.0 109.478 167.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.21 -41.78 73.2 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -167.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -59.19 -35.78 74.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.261 2.624 . . . . 0.0 115.126 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.9 pt -80.02 -26.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.253 1.388 . . . . 0.0 112.782 170.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -76.9 -31.71 56.91 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.276 1.03 . . . . 0.0 112.478 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -78.46 -169.31 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 125.327 1.451 . . . . 0.0 113.051 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -48.84 -45.07 40.14 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.214 2.206 . . . . 0.0 114.798 -172.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -158.32 160.39 36.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.012 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.56 144.95 19.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.202 1.001 . . . . 0.0 111.651 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' TYR . . . . . 0.505 ' CE2' HD21 ' B' ' 34' ' ' LEU . 42.1 t80 -143.21 -33.82 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.877 1.271 . . . . 0.0 113.875 -166.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 -46.4 9.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.269 1.828 . . . . 0.0 112.871 168.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.457 HG21 ' CG2' ' A' ' 32' ' ' ILE . 25.2 mm -78.34 -25.55 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 121.106 -0.996 . . . . 0.0 113.214 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.1 -41.42 88.05 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.73 -1.231 . . . . 0.0 110.065 166.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' B' ' 30' ' ' TYR . 6.5 mt -55.52 -53.66 53.57 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.976 169.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.494 HD23 ' HG ' ' B' ' 60' ' ' LEU . 2.7 tm? -46.68 -53.91 10.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.377 1.071 . . . . 0.0 112.085 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -64.64 -43.58 93.21 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 119.216 0.917 . . . . 0.0 111.89 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -41.1 85.06 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 122.826 1.298 . . . . 0.0 111.074 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -77.14 -50.36 13.18 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.732 2.013 . . . . 0.0 111.439 -171.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.73 -41.72 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.316 -0.865 . . . . 0.0 111.011 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.7 -26.83 62.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.839 -1.144 . . . . 0.0 113.408 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -64.28 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.526 1.057 . . . . 0.0 110.666 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.44 -46.2 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 120.569 -1.332 . . . . 0.0 110.647 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.8 -44.89 80.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.719 1.208 . . . . 0.0 113.625 -172.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -124.02 -31.38 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.457 1.103 . . . . 0.0 113.378 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.58 -17.76 67.16 Favored Glycine 0 CA--C 1.54 1.623 0 O-C-N 121.015 -1.053 . . . . 0.0 113.304 172.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m 57.13 46.98 18.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.034 2.134 . . . . 0.0 113.696 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -62.25 148.05 46.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.999 0.92 . . . . 0.0 110.672 163.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.66 125.89 20.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.834 1.253 . . . . 0.0 111.077 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -164.11 168.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.159 2.184 . . . . 0.0 109.518 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -61.61 -169.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.108 1.763 . . . . 0.0 112.284 165.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.36 0.24 Allowed Glycine 0 N--CA 1.473 1.133 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -47.7 -63.35 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.854 1.827 . . . . 0.0 111.009 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -66.2 -40.9 90.72 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.888 1.222 . . . . 0.0 112.539 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -47.86 -54.39 12.69 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.064 0.946 . . . . 0.0 110.625 171.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.479 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.7 tptt -61.5 -45.3 94.8 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 116.694 -1.622 . . . . 0.0 112.85 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.508 ' O ' HG22 ' B' ' 59' ' ' THR . 1.6 mptm? -50.74 -57.12 9.11 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 121.099 1.772 . . . . 0.0 111.268 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.52 -30.11 65.55 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.81 -1.806 . . . . 0.0 112.674 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.7 p -83.42 -27.33 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.705 -0.622 . . . . 0.0 112.548 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.508 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.0 t -71.55 -32.1 67.74 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.439 -1.413 . . . . 0.0 112.183 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.494 ' HG ' HD23 ' B' ' 35' ' ' LEU . 2.1 mm? -45.66 -59.19 2.9 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.92 0.888 . . . . 0.0 110.159 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -35.87 73.04 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 119.447 -0.311 . . . . 0.0 111.602 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.72 -19.62 28.66 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.761 -0.637 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -32.9 5.6 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 164.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -65.54 -52.77 50.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 113.632 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -69.14 -33.38 73.35 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.066 -1.021 . . . . 0.0 112.405 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -91.09 -59.88 2.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.514 1.926 . . . . 0.0 115.759 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -102.35 -45.65 5.03 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -160.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.927 2.091 . . . . 0.0 112.482 -175.17 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 6.1 ttp180 -96.79 146.2 25.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -168.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -127.14 63.83 1.32 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.209 1.003 . . . . 0.0 109.069 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 41.0 m -47.54 115.82 1.25 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.042 0.937 . . . . 0.0 113.469 -170.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.275 3.8 mt 51.7 70.21 0.57 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.259 3.024 . . . . 0.0 114.169 175.235 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -66.29 -30.54 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.818 1.247 . . . . 0.0 111.171 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.49 2.29 57.67 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 125.959 1.742 . . . . 0.0 115.145 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -134.53 -56.17 0.84 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.984 1.392 . . . . 0.0 110.206 164.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.92 44.15 23.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 113.718 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 97.33 9.17 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 113.531 -163.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.304 4.5 t 52.15 -68.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.821 2.849 . . . . 0.0 115.811 171.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -65.93 -26.57 67.66 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 120.506 -1.372 . . . . 0.0 112.391 164.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -99.98 5.97 45.15 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.703 1.601 . . . . 0.0 111.952 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.94 -8.98 53.31 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.51 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.5 pm0 -43.48 -28.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -175.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -55.34 -64.29 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.284 1.434 . . . . 0.0 112.258 168.588 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -70.09 -36.77 75.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 127.708 2.403 . . . . 0.0 109.763 -174.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -58.01 -52.38 65.74 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 125.158 1.383 . . . . 0.0 109.032 168.623 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.2 tp -69.26 -42.34 75.7 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -163.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -52.21 -44.85 64.97 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.384 2.274 . . . . 0.0 115.351 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.59 -25.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 121.076 1.762 . . . . 0.0 112.435 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -77.79 -30.77 51.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.391 1.077 . . . . 0.0 112.82 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.7 pt . . . . . 0 CA--C 1.548 0.901 0 C-N-CA 125.121 1.368 . . . . 0.0 113.203 175.04 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.7 t80 . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.17 57.31 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.8 1.182 . . . . 0.0 112.505 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 32' ' ' ILE . 1.5 mm -66.96 -33.53 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -58.89 -40.88 85.76 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.4 -41.05 96.86 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 115.969 -1.967 . . . . 0.0 110.549 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.5 tp -53.43 -56.04 20.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.938 2.154 . . . . 0.0 111.844 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.2 t -66.26 -38.17 87.2 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 119.148 0.885 . . . . 0.0 111.74 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -61.69 -43.46 98.81 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.927 0.87 . . . . 0.0 111.046 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.19 -55.07 13.62 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.135 2.174 . . . . 0.0 110.518 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.69 -41.47 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.342 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -70.88 -26.97 63.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 118.423 -1.311 . . . . 0.0 113.348 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.56 -26.22 67.02 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.402 1.001 . . . . 0.0 112.053 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 42' ' ' ILE . 3.1 mp -80.97 -51.65 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.395 -1.441 . . . . 0.0 110.533 167.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.242 1.017 . . . . 0.0 113.637 -167.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 t -123.19 -29.25 3.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.525 1.13 . . . . 0.0 113.46 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 -17.56 75.73 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 119.65 1.114 . . . . 0.0 113.427 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.3 81.6 p 53.12 41.01 32.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.023 2.129 . . . . 0.0 114.642 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.54 142.15 45.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.885 0.874 . . . . 0.0 110.915 165.16 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -152.58 128.98 10.61 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 110.582 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.508 HG13 ' H ' ' A' ' 53' ' ' THR . 2.1 p -161.84 166.29 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.497 1.919 . . . . 0.0 109.156 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -64.01 59.93 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 131.007 3.723 . . . . 0.0 116.211 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.3 -6.42 15.49 Favored Glycine 0 N--CA 1.469 0.894 0 C-N-CA 126.717 2.104 . . . . 0.0 115.359 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.0 m -61.12 -58.34 8.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.576 2.188 . . . . 0.0 110.582 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.508 ' H ' HG13 ' A' ' 49' ' ' VAL . 7.1 t -61.5 -37.53 84.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.821 0.848 . . . . 0.0 113.227 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -56.28 -57.1 13.7 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.713 1.205 . . . . 0.0 110.796 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 58' ' ' VAL . 24.2 tptt -59.99 -44.56 94.43 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.285 1.434 . . . . 0.0 112.113 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER -50.27 -52.83 33.0 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.215 1.37 . . . . 0.0 111.635 169.615 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.61 -25.11 41.54 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.953 -1.717 . . . . 0.0 114.81 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.3 p -81.21 -26.49 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.635 -0.665 . . . . 0.0 111.722 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.8 t -71.86 -30.98 66.0 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.461 -1.399 . . . . 0.0 112.381 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.41 -56.84 7.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.916 172.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -37.68 84.77 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.92 0.327 . . . . 0.0 111.615 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.82 -24.7 24.13 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.747 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 -39.95 5.45 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 171.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 32' ' ' ILE . 73.5 t80 -65.33 -51.29 61.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.969 0.908 . . . . 0.0 113.082 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -70.34 -36.48 74.24 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 112.319 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -90.22 -61.67 1.63 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -100.73 -35.83 9.32 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -159.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.425 1.89 . . . . 0.0 112.756 -179.255 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 110.51 -0.182 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.594 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 46.9 ttp180 -137.92 143.73 40.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.768 1.627 . . . . 0.0 110.281 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 79.5 mmm -124.3 70.43 1.1 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.777 0.799 . . . . 0.0 110.606 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 67.7 m -76.93 102.85 6.56 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.649 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -133.99 142.75 47.78 Favored 'General case' 0 CA--C 1.535 0.397 1 C-N-CA 136.667 5.987 . . . . 0.0 107.119 -1.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -92.41 -43.05 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.39 1.28 27.92 Favored Glycine 0 CA--C 1.546 2.028 0 C-N-CA 125.138 1.351 . . . . 0.0 115.267 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -139.74 -60.75 0.54 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.85 1.325 . . . . 0.0 110.668 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.45 36.17 22.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.092 1.357 . . . . 0.0 113.715 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' PHE . . . . . 0.415 ' HA ' ' HE ' ' B' ' 63' ' ' ARG . 19.6 m-30 -55.66 162.82 1.54 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.701 1.6 . . . . 0.0 111.667 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -35.23 -42.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.82 -29.09 50.45 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.121 -1.612 . . . . 0.0 114.038 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 7.51 45.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.009 2.923 . . . . 0.0 112.869 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.31 -8.92 56.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.566 1.147 . . . . 0.0 113.9 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.465 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -45.56 -27.75 0.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.748 1.219 . . . . 0.0 113.998 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.2 tptt -47.53 -73.28 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.718 2.007 . . . . 0.0 113.365 162.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.528 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -67.45 -35.21 78.76 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.901 2.48 . . . . 0.0 109.987 -173.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -52.78 -50.62 63.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.368 3.067 . . . . 0.0 111.537 167.752 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -72.61 -39.66 67.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 116.453 -2.099 . . . . 0.0 107.726 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' B' ' 19' ' ' LYS . 90.5 m-20 -64.14 -26.03 68.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.136 1.774 . . . . 0.0 115.287 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -86.24 -29.89 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.825 1.193 . . . . 0.0 112.314 166.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.49 -27.68 63.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.923 0.889 . . . . 0.0 113.044 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.41 -141.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.897 1.679 . . . . 0.0 112.121 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -62.69 11.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 128.345 2.658 . . . . 0.0 115.481 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 68.07 149.43 0.06 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.479 3.112 . . . . 0.0 116.455 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 56.48 20.95 5.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.176 2.19 . . . . 0.0 116.77 168.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -57.98 -31.7 67.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -169.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.8 -36.95 7.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.79 0.836 . . . . 0.0 113.08 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.65 -29.35 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.58 -44.22 93.39 Favored 'General case' 0 C--O 1.242 0.708 0 O-C-N 121.383 -0.823 . . . . 0.0 110.202 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -49.1 78.66 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.211 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.8 tp -48.44 -55.11 11.77 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.73 1.604 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.8 t -68.19 -41.95 80.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.456 0.571 . . . . 0.0 111.61 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -62.64 -38.93 92.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.03 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.77 -54.79 9.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.304 2.242 . . . . 0.0 110.966 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.91 -43.4 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.019 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.6 -28.7 62.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 118.615 -1.234 . . . . 0.0 113.498 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.97 -23.02 64.07 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.587 1.085 . . . . 0.0 111.606 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.22 -46.97 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.693 -1.254 . . . . 0.0 110.199 173.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.26 -48.58 72.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.479 1.112 . . . . 0.0 113.494 -173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -119.39 -31.26 4.68 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.505 1.122 . . . . 0.0 113.096 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.22 -15.28 72.21 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 121.237 -0.914 . . . . 0.0 114.225 171.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.316 82.1 p 54.5 37.65 28.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.218 2.207 . . . . 0.0 115.826 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.28 149.39 38.06 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.253 -0.904 . . . . 0.0 110.998 160.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -153.1 138.52 17.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.259 1.023 . . . . 0.0 112.074 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.556 HG13 ' H ' ' B' ' 53' ' ' THR . 2.6 p -161.26 160.96 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.759 2.023 . . . . 0.0 109.636 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.46 70.17 2.3 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.536 2.335 . . . . 0.0 114.455 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.38 -10.94 19.69 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 127.962 2.696 . . . . 0.0 115.55 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -58.6 -60.43 3.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.667 1.734 . . . . 0.0 109.52 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.556 ' H ' HG13 ' B' ' 49' ' ' VAL . 12.2 t -60.99 -44.58 97.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.584 -0.697 . . . . 0.0 112.578 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -47.17 -54.01 11.69 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.328 1.051 . . . . 0.0 111.198 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.8 tptt -60.78 -40.56 93.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 125.494 1.518 . . . . 0.0 112.671 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.462 ' O ' HD23 ' B' ' 60' ' ' LEU . 1.1 mptm? -55.73 -51.07 68.62 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.857 1.662 . . . . 0.0 111.965 167.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -66.58 -34.69 78.45 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.26 -2.15 . . . . 0.0 112.208 -175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' B' ' 55' ' ' LYS . 8.3 p -86.39 -26.53 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -71.18 -30.73 66.78 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 120.315 -1.491 . . . . 0.0 112.361 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.462 HD23 ' O ' ' B' ' 56' ' ' LYS . 2.9 mm? -45.88 -57.27 4.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 0.0 110.55 170.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -36.27 77.77 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 117.945 0.339 . . . . 0.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.63 -19.55 16.78 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.877 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.415 ' HE ' ' HA ' ' B' ' 13' ' ' PHE . 62.9 mtt-85 -116.82 -29.9 5.91 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 163.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.74 -46.74 74.46 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.548 1.522 . . . . 0.0 113.657 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -74.52 -35.71 63.16 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.695 1.198 . . . . 0.0 112.598 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -92.52 -58.7 2.28 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -103.76 -35.78 8.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -158.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.587 1.955 . . . . 0.0 112.282 -176.328 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 13.2 ttp180 -125.07 151.35 45.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.669 1.988 . . . . 0.0 111.157 176.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.0 11.52 10.29 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.571 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.253 68.5 m 47.79 -88.5 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.204 2.602 . . . . 0.0 116.109 -178.009 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.33 92.12 3.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.878 1.672 . . . . 0.0 110.279 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -76.62 -39.23 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.451 0.7 . . . . 0.0 111.255 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.73 1.54 49.5 Favored Glycine 0 CA--C 1.546 1.995 0 C-N-CA 124.921 1.248 . . . . 0.0 114.797 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -138.06 -51.51 0.6 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.147 1.474 . . . . 0.0 112.061 168.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.68 37.16 12.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.731 2.013 . . . . 0.0 115.572 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.43 105.41 17.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.577 0.751 . . . . 0.0 112.531 -160.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 4.6 t 51.66 -71.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.717 2.807 . . . . 0.0 115.148 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.37 -31.57 72.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.568 1.147 . . . . 0.0 112.561 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' HA ' HE22 ' A' ' 18' ' ' GLN . 36.8 mm-40 -100.31 6.72 44.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.161 0.984 . . . . 0.0 112.019 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -69.8 -8.5 48.76 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.41 HE22 ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -42.87 -30.99 0.44 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.775 1.625 . . . . 0.0 115.204 -176.08 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.3 tptp -53.56 -64.07 0.94 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.673 1.589 . . . . 0.0 112.535 168.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.3 mm? -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 127.857 2.463 . . . . 0.0 109.629 -173.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -53.53 55.82 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 108.298 167.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.22 -45.8 72.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -162.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -52.28 -42.05 63.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.798 2.439 . . . . 0.0 114.839 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 pt -79.59 -26.32 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.782 1.174 . . . . 0.0 112.864 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.1 -30.22 55.25 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.409 1.084 . . . . 0.0 112.727 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 124.892 1.277 . . . . 0.0 113.051 173.943 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 8.2 t80 . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -35.62 -43.14 0.26 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.607 2.363 . . . . 0.0 116.73 -171.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' B' ' 32' ' ' ILE . 1.8 mp -69.8 -34.37 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.95 -43.31 86.31 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.875 -1.141 . . . . 0.0 110.188 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 34' ' ' LEU . 4.1 mp -60.96 -45.57 94.19 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.035 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.86 -55.47 14.16 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.327 1.421 . . . . 0.0 111.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -66.17 -38.2 87.48 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 119.805 1.184 . . . . 0.0 112.358 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.81 92.15 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.717 1.246 . . . . 0.0 111.422 174.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -74.02 -52.25 13.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.928 2.091 . . . . 0.0 110.811 -172.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 pp -56.74 -41.95 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.025 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.39 -27.27 62.26 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.517 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -66.37 -25.13 66.65 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.52 1.055 . . . . 0.0 111.121 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.04 -47.44 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 120.977 -1.077 . . . . 0.0 110.948 171.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.16 -43.93 93.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.567 1.147 . . . . 0.0 113.565 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 -31.74 2.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.68 1.192 . . . . 0.0 113.489 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -18.47 65.88 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 120.885 -1.135 . . . . 0.0 113.516 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.53 43.32 22.91 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.749 2.019 . . . . 0.0 113.886 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.59 140.91 55.95 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.29 -0.881 . . . . 0.0 109.87 158.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -145.43 125.07 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.089 0.955 . . . . 0.0 112.046 -173.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -165.26 171.51 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.452 2.301 . . . . 0.0 109.141 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -60.22 -170.03 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.055 1.742 . . . . 0.0 112.107 164.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -6.84 0.37 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 117.902 1.921 . . . . 0.0 117.902 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.2 m -46.89 -65.57 0.54 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 119.623 1.712 . . . . 0.0 111.264 169.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -66.88 -38.94 87.25 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -49.54 -53.54 22.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.211 1.004 . . . . 0.0 110.713 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.3 tptt -61.76 -41.22 97.41 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.017 1.327 . . . . 0.0 112.429 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 59' ' ' THR . 12.9 mptt -57.25 -47.8 80.46 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.479 1.49 . . . . 0.0 112.589 171.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.27 -35.63 66.21 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 119.805 -1.81 . . . . 0.0 112.758 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.0 p -80.48 -27.02 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.794 -0.566 . . . . 0.0 111.922 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 56' ' ' LYS . 6.6 t -70.54 -35.0 72.88 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.659 -1.275 . . . . 0.0 112.057 171.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.87 -54.8 7.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.423 173.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.62 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 175.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -57.73 -19.13 25.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.985 0.914 . . . . 0.0 113.096 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -111.96 -34.05 6.1 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 157.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -49.33 67.96 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.6 2.0 . . . . 0.0 113.559 -173.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -71.75 -29.87 64.97 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.623 1.169 . . . . 0.0 112.514 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -101.53 -58.31 1.91 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.468 2.307 . . . . 0.0 116.585 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -104.78 -43.31 5.14 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -157.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 113.262 -174.879 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 CA--C 1.541 0.628 0 CA-C-O 120.469 0.176 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 15.0 ttp180 -129.68 153.36 48.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.327 1.451 . . . . 0.0 111.269 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mmt -120.3 11.41 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.496 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.253 69.9 m 46.16 -93.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.347 2.259 . . . . 0.0 115.227 -176.856 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.67 95.45 4.35 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.497 1.953 . . . . 0.0 109.89 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -77.54 -41.16 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.0 110.745 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.53 -0.73 39.76 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 125.704 1.621 . . . . 0.0 114.077 -170.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -132.22 -67.93 0.64 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.158 1.383 . . . . 0.0 109.249 170.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 34.09 22.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.319 1.448 . . . . 0.0 114.329 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.98 164.36 1.23 Allowed 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.76 1.624 . . . . 0.0 111.83 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -36.5 -42.67 0.36 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.23 -32.57 58.98 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.179 -1.575 . . . . 0.0 113.733 175.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -92.47 8.39 38.93 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.223 2.609 . . . . 0.0 112.974 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.79 -8.87 57.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.295 1.438 . . . . 0.0 114.1 -173.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -44.97 -28.14 0.63 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.819 1.247 . . . . 0.0 114.258 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.7 tptp -49.95 -69.71 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.125 1.77 . . . . 0.0 113.766 163.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.481 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.34 -36.93 79.98 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 127.557 2.343 . . . . 0.0 109.783 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.418 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -48.74 -50.05 35.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 129.316 3.046 . . . . 0.0 111.148 165.832 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.32 -41.86 60.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 117.619 -1.632 . . . . 0.0 108.817 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.0 -25.97 68.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 126.303 1.841 . . . . 0.0 114.867 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -88.75 -27.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.838 0.745 . . . . 0.0 112.925 168.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.59 -30.77 67.54 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.054 0.942 . . . . 0.0 112.732 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.2 pt -82.02 -175.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.076 1.35 . . . . 0.0 113.625 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -63.39 -32.03 73.36 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -142.84 149.49 38.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.726 1.21 . . . . 0.0 112.64 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.73 78.69 1.11 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.56 1.944 . . . . 0.0 112.539 -172.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' TYR . . . . . 0.426 ' CE2' HD21 ' B' ' 34' ' ' LEU . 24.1 t80 -66.63 -43.67 84.04 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 -158.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -32.2 -47.44 0.15 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.451 2.301 . . . . 0.0 115.731 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.475 HG21 ' CG2' ' A' ' 32' ' ' ILE . 32.4 mm -74.97 -27.67 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 120.296 1.407 . . . . 0.0 113.945 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.67 -38.9 79.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.813 -1.179 . . . . 0.0 110.307 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.426 HD21 ' CE2' ' B' ' 30' ' ' TYR . 12.3 mt -58.92 -57.88 11.11 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.581 168.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.34 -52.36 9.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.499 1.52 . . . . 0.0 112.109 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -47.96 66.81 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 119.409 1.004 . . . . 0.0 111.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.58 67.93 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 122.55 1.167 . . . . 0.0 110.399 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -76.04 -51.09 13.04 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 127.658 2.383 . . . . 0.0 112.377 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 pp -56.71 -38.91 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.926 0.785 . . . . 0.0 110.715 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.0 -30.41 63.76 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.71 -27.47 69.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.408 1.458 . . . . 0.0 111.203 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.84 -48.07 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.946 -1.096 . . . . 0.0 110.852 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.13 -45.57 69.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.398 1.079 . . . . 0.0 113.795 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -119.07 -32.06 4.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.96 1.304 . . . . 0.0 112.766 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.6 -13.57 74.63 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.083 -1.01 . . . . 0.0 114.058 171.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.314 81.7 p 54.94 37.37 28.67 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.138 2.175 . . . . 0.0 115.293 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.29 142.14 58.36 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.602 -0.686 . . . . 0.0 110.274 159.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -160.99 137.55 8.58 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.496 1.118 . . . . 0.0 111.771 172.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.34 -158.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 126.66 1.984 . . . . 0.0 109.329 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -55.97 -174.88 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.71 1.604 . . . . 0.0 113.635 160.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.26 -7.67 2.05 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 119.948 -1.72 . . . . 0.0 116.391 175.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -49.2 -58.28 5.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.174 1.987 . . . . 0.0 110.985 171.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -66.66 -42.46 86.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.95 1.25 . . . . 0.0 112.532 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -48.25 -53.43 17.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.387 1.075 . . . . 0.0 111.238 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.472 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.9 tptt -59.7 -42.68 93.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.784 1.634 . . . . 0.0 112.932 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.411 ' O ' HD23 ' B' ' 60' ' ' LEU . 1.5 mptm? -52.66 -52.97 53.4 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 121.066 1.757 . . . . 0.0 111.503 169.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.74 -36.08 77.94 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.184 -1.573 . . . . 0.0 112.635 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.3 p -84.85 -27.45 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 112.445 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 t -70.06 -34.09 72.76 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 120.737 -1.227 . . . . 0.0 111.76 174.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.411 HD23 ' O ' ' B' ' 56' ' ' LYS . 1.6 mm? -45.77 -59.13 2.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.465 0.706 . . . . 0.0 111.022 175.092 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -36.46 74.07 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.338 -0.363 . . . . 0.0 111.723 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.98 -19.37 17.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.205 0.602 . . . . 0.0 112.508 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -34.44 5.62 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 164.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.12 -49.75 70.98 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.072 1.305 . . . . 0.0 113.703 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -72.78 -35.29 67.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.592 1.157 . . . . 0.0 112.596 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.51 -58.26 2.59 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -102.25 -44.48 5.4 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -161.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.087 2.155 . . . . 0.0 112.428 -175.751 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.3 ttp180 -128.82 155.21 45.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.245 1.818 . . . . 0.0 111.498 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.2 mmm -120.77 7.01 10.44 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.549 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.264 74.8 m 48.14 -86.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.54 2.336 . . . . 0.0 115.172 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.56 97.87 4.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 121.363 1.892 . . . . 0.0 110.471 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.49 -38.03 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.828 0.851 . . . . 0.0 110.776 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 7.51 54.37 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.596 1.093 . . . . 0.0 114.013 -170.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.7 -64.26 0.46 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.356 1.462 . . . . 0.0 110.906 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.7 33.47 13.98 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.501 1.52 . . . . 0.0 114.385 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -63.19 167.83 4.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 125.479 1.512 . . . . 0.0 111.305 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -33.52 -45.36 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -77.14 -30.41 55.09 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.144 -1.597 . . . . 0.0 113.88 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.72 7.2 46.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.183 2.593 . . . . 0.0 113.154 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.69 -12.59 61.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.881 1.672 . . . . 0.0 113.95 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -44.44 -28.89 0.61 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.8 tptp -49.48 -70.16 0.1 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.835 1.654 . . . . 0.0 113.607 164.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.584 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -67.92 -36.57 80.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.321 2.248 . . . . 0.0 109.794 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -50.87 -47.98 60.36 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.974 2.91 . . . . 0.0 111.243 166.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -73.84 -42.0 61.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.716 -1.593 . . . . 0.0 108.813 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.14 -15.68 57.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.787 2.035 . . . . 0.0 115.568 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.6 pt -100.27 -26.88 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.222 1.009 . . . . 0.0 113.427 165.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -30.24 66.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.856 1.262 . . . . 0.0 112.794 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.0 pt . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.778 1.231 . . . . 0.0 113.573 175.447 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.62 -43.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 129.718 3.207 . . . . 0.0 117.15 -155.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.12 -30.5 36.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 124.765 1.226 . . . . 0.0 113.713 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.23 -41.61 68.91 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.826 -0.546 . . . . 0.0 110.364 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.41 -48.82 73.93 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.187 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -53.39 32.18 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.736 1.153 . . . . 0.0 111.818 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -68.4 -38.92 81.73 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.516 -0.74 . . . . 0.0 112.43 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -41.96 97.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.729 0.776 . . . . 0.0 110.688 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.16 -54.01 21.02 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.967 2.107 . . . . 0.0 110.698 -175.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.32 -42.68 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.921 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.59 -27.41 62.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 119.065 -1.054 . . . . 0.0 113.607 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.05 -24.34 64.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.757 1.162 . . . . 0.0 111.234 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.82 -46.99 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.002 -1.061 . . . . 0.0 110.305 171.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.54 -48.32 72.85 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -119.83 -32.62 4.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.942 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.88 -13.91 64.7 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 114.093 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.365 3.5 t 55.24 37.87 29.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.324 2.25 . . . . 0.0 115.024 175.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -60.36 144.85 49.81 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.994 -1.066 . . . . 0.0 110.577 161.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -148.32 135.63 20.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.517 1.127 . . . . 0.0 111.74 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.74 170.34 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.9 2.08 . . . . 0.0 109.534 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.79 -169.93 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.519 1.927 . . . . 0.0 113.248 161.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.53 -6.55 0.19 Allowed Glycine 0 N--CA 1.475 1.291 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.9 m -48.7 -66.56 0.38 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.776 1.788 . . . . 0.0 111.37 170.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -67.88 -33.3 74.47 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.137 -0.977 . . . . 0.0 113.08 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -53.44 -54.64 34.05 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.208 1.003 . . . . 0.0 109.988 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.7 tptt -63.85 -43.01 97.4 Favored 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.089 1.355 . . . . 0.0 112.967 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 59' ' ' THR . 12.6 mptt -55.08 -49.44 71.66 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.446 1.475 . . . . 0.0 111.429 171.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.61 -40.21 76.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 119.838 -1.789 . . . . 0.0 112.449 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.4 p -80.63 -25.2 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.255 0.622 . . . . 0.0 111.923 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.5 t -71.65 -34.73 70.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.775 -1.203 . . . . 0.0 112.157 172.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -48.1 -55.13 10.99 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.388 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -36.58 75.25 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -54.25 -23.79 16.21 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.98 -1.009 . . . . 0.0 112.504 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -117.49 -26.18 6.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -66.14 -47.29 74.57 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 121.858 2.117 . . . . 0.0 112.861 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.91 -36.22 64.72 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.066 1.346 . . . . 0.0 112.325 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -89.68 -59.67 2.14 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -103.27 -69.77 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -163.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.865 2.066 . . . . 0.0 113.282 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.4 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 14.7 ttp180 -133.5 147.38 51.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.579 1.152 . . . . 0.0 111.823 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.6 mmt -123.05 9.21 9.29 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.48 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 58.2 m 51.16 -90.87 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.425 2.29 . . . . 0.0 114.581 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt -130.0 96.13 4.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.435 1.925 . . . . 0.0 110.287 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.49 -35.18 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.234 1.014 . . . . 0.0 110.588 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -1.22 57.59 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.262 1.411 . . . . 0.0 113.644 -170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.7 -71.33 0.58 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.447 1.499 . . . . 0.0 109.065 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.21 33.25 23.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.299 1.44 . . . . 0.0 114.286 -177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -56.96 165.02 1.36 Allowed 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 126.193 1.797 . . . . 0.0 112.013 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -37.14 -42.66 0.45 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.95 -31.7 56.79 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.192 -1.567 . . . . 0.0 113.798 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -93.22 8.41 40.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.074 2.549 . . . . 0.0 113.18 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.31 -10.98 60.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.346 1.459 . . . . 0.0 113.658 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.437 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -43.86 -31.05 0.76 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.733 1.213 . . . . 0.0 113.574 -175.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.4 tptp -47.79 -67.94 0.23 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.008 1.323 . . . . 0.0 113.512 165.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.507 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -67.33 -37.53 83.43 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.367 2.267 . . . . 0.0 109.773 -173.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -53.39 -47.58 69.4 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 129.478 3.111 . . . . 0.0 111.247 169.615 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.408 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.7 tm? -72.95 -45.8 56.05 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -59.01 -35.12 72.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.241 1.816 . . . . 0.0 114.655 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 pt -82.2 -28.97 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.872 0.76 . . . . 0.0 112.54 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -73.95 -30.94 62.81 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.7 pt -78.47 -172.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.513 1.125 . . . . 0.0 113.535 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -47.2 -44.22 22.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.58 2.352 . . . . 0.0 114.777 -171.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -155.43 160.19 40.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.613 1.565 . . . . 0.0 111.309 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.91 146.3 32.63 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 112.347 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' B' ' 34' ' ' LEU . 54.2 t80 -138.9 -35.05 0.58 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -167.14 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.88 -44.43 2.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.373 1.469 . . . . 0.0 112.957 164.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.37 -43.91 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 124.659 1.184 . . . . 0.0 112.11 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -57.39 -38.52 74.39 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.641 -0.662 . . . . 0.0 110.425 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' B' ' 30' ' ' TYR . 5.9 mt -62.0 -45.58 92.96 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.487 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.7 tp -54.36 -55.79 25.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.163 1.347 . . . . 0.0 112.054 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.3 t -66.52 -37.87 85.96 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 119.316 0.962 . . . . 0.0 111.795 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -61.84 -43.91 97.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.799 0.809 . . . . 0.0 110.766 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.68 -53.61 31.94 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.366 1.866 . . . . 0.0 110.853 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.63 -40.19 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 121.774 -0.579 . . . . 0.0 111.708 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.63 -26.25 62.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.636 -1.226 . . . . 0.0 113.277 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.91 -25.79 66.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.646 1.112 . . . . 0.0 111.799 171.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.15 -50.04 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.557 -1.339 . . . . 0.0 110.331 169.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.35 -45.62 75.81 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -170.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -121.4 -27.86 4.74 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.605 1.162 . . . . 0.0 113.279 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.79 -20.58 76.06 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 119.406 1.003 . . . . 0.0 113.105 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m 59.39 40.08 21.37 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.238 1.815 . . . . 0.0 113.505 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -64.42 129.88 41.61 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 162.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -161.93 118.47 2.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.714 1.205 . . . . 0.0 110.036 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 18.0 m -137.53 -155.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.015 1.726 . . . . 0.0 109.455 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -55.0 -179.51 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.749 1.219 . . . . 0.0 113.01 159.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 -7.08 1.25 Allowed Glycine 0 N--CA 1.472 1.086 0 O-C-N 120.003 -1.686 . . . . 0.0 116.992 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -43.23 -67.09 0.3 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.311 2.055 . . . . 0.0 112.296 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -67.56 -36.03 80.16 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -53.05 -54.12 40.07 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.776 1.23 . . . . 0.0 110.706 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.453 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.0 tptt -61.99 -44.09 97.47 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.651 1.58 . . . . 0.0 112.444 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.04 -47.17 71.88 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.488 1.495 . . . . 0.0 111.729 171.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.86 -37.38 70.24 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.314 -1.491 . . . . 0.0 113.167 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.4 p -84.99 -25.64 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.189 0.596 . . . . 0.0 112.569 178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -70.1 -34.23 72.87 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.506 -1.371 . . . . 0.0 111.486 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.78 -59.54 2.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.185 173.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.69 84.19 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.16 -19.2 31.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.213 0.605 . . . . 0.0 112.389 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.44 -33.52 5.56 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 163.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -64.93 -48.82 72.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.974 1.261 . . . . 0.0 113.688 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -72.5 -34.14 67.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.862 1.265 . . . . 0.0 112.503 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.31 -57.79 2.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -159.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 124.901 1.28 . . . . 0.0 113.186 -170.435 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.121 0.045 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -133.18 150.55 51.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.311 1.045 . . . . 0.0 113.579 -174.224 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -123.17 12.88 9.6 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m 47.4 -87.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.051 2.54 . . . . 0.0 115.385 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.34 114.28 12.8 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.289 2.313 . . . . 0.0 113.338 170.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.04 -35.25 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.575 1.55 . . . . 0.0 111.641 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.97 -1.35 35.65 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.102 1.334 . . . . 0.0 115.934 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -136.59 -51.27 0.69 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.181 1.491 . . . . 0.0 109.976 161.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.31 36.47 16.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 113.315 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.03 166.69 15.39 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.279 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -26.51 -50.22 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.54 -29.55 61.41 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.3 -1.5 . . . . 0.0 114.307 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -95.99 9.29 41.22 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.814 2.846 . . . . 0.0 113.208 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.03 -8.7 57.57 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 113.46 -171.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.6 pm0 -42.11 -32.35 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.926 1.691 . . . . 0.0 113.577 -177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 tptp -50.35 -68.75 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.718 1.607 . . . . 0.0 112.774 166.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.52 -35.83 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.479 2.311 . . . . 0.0 109.787 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -54.9 -53.34 56.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 125.08 1.352 . . . . 0.0 108.44 167.263 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.16 -42.37 80.13 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -162.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 129.435 3.094 . . . . 0.0 116.838 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 pt -83.0 -28.74 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 120.108 1.322 . . . . 0.0 112.478 168.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.19 -34.49 56.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.285 1.034 . . . . 0.0 112.2 -171.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 pt . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.713 1.605 . . . . 0.0 114.049 -179.106 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.547 ' CE2' HD21 ' A' ' 34' ' ' LEU . 59.2 t80 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.33 -40.22 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.502 1.521 . . . . 0.0 113.123 167.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.5 HG21 HG21 ' B' ' 32' ' ' ILE . 8.9 mm -72.03 -34.59 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.56 -44.37 65.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 166.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 30' ' ' TYR . 2.9 mt -62.88 -48.35 79.39 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.966 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' C ' HD23 ' A' ' 35' ' ' LEU . 4.8 tt -53.49 -56.05 20.19 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.815 1.189 . . . . 0.0 110.498 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -66.51 -38.6 87.57 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 118.841 0.746 . . . . 0.0 111.526 -173.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -42.74 99.67 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.371 0.605 . . . . 0.0 110.745 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.0 -53.44 31.41 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.212 1.805 . . . . 0.0 111.018 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -58.59 -42.61 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 121.766 -0.584 . . . . 0.0 111.259 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.68 -25.26 61.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 118.86 -1.136 . . . . 0.0 113.663 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -65.0 -32.64 74.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.391 0.996 . . . . 0.0 110.972 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.11 -45.28 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 120.641 -1.287 . . . . 0.0 110.222 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -66.28 -47.52 73.38 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -124.05 -30.53 3.48 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.401 1.081 . . . . 0.0 113.546 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.23 -11.02 58.31 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.036 -1.04 . . . . 0.0 114.338 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.361 3.6 t 55.71 38.06 29.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.456 2.302 . . . . 0.0 114.923 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -61.27 144.82 53.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.157 0.983 . . . . 0.0 110.454 164.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -148.0 125.77 11.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.967 0.907 . . . . 0.0 111.943 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.32 170.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 127.53 2.332 . . . . 0.0 109.015 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -61.17 -171.53 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.813 1.645 . . . . 0.0 112.061 165.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.44 0.2 Allowed Glycine 0 N--CA 1.475 1.263 0 N-CA-C 118.037 1.975 . . . . 0.0 118.037 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -47.23 -66.0 0.47 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.689 1.745 . . . . 0.0 111.401 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -69.98 -34.6 73.57 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.235 -0.916 . . . . 0.0 113.097 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -51.38 -54.97 21.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.519 1.128 . . . . 0.0 110.01 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.4 tptt -61.82 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 117.186 -1.387 . . . . 0.0 112.306 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.558 ' O ' HG22 ' A' ' 59' ' ' THR . 12.3 mptt -54.98 -50.23 69.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.7 1.591 . . . . 0.0 111.605 173.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 pp -82.37 -20.22 37.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 119.535 -1.978 . . . . 0.0 115.102 -173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.5 p -84.8 -27.01 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.625 0.648 . . . . 0.0 111.843 170.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.5 t -69.73 -31.66 69.77 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.69 -1.256 . . . . 0.0 112.276 171.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.6 -55.54 7.47 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -38.32 78.56 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.48 -18.56 11.81 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -116.86 -32.46 5.1 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 161.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.75 -45.84 92.77 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.299 1.863 . . . . 0.0 112.992 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -75.95 -38.27 57.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 112.651 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.24 -57.52 2.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.36 -40.59 6.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -158.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m120 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 113.045 -173.502 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -123.67 153.93 40.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.606 1.962 . . . . 0.0 110.7 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.59 11.7 9.89 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.456 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.265 62.5 m 50.43 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.501 2.321 . . . . 0.0 115.719 -177.662 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.11 110.16 6.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 122.613 2.46 . . . . 0.0 113.416 170.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -86.4 -35.32 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.122 1.769 . . . . 0.0 111.941 -175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -1.36 31.82 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.934 1.254 . . . . 0.0 115.5 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.79 -59.56 0.51 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.754 1.221 . . . . 0.0 111.313 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 34.93 18.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.58 1.552 . . . . 0.0 114.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.84 166.08 9.62 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.747 176.003 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -30.2 -47.01 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.03 -30.67 62.54 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.374 -1.454 . . . . 0.0 114.212 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -98.78 12.07 36.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.893 2.877 . . . . 0.0 112.726 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -80.34 -8.56 59.55 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.839 -1.163 . . . . 0.0 113.755 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -41.85 -30.19 0.24 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.869 1.668 . . . . 0.0 114.4 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -52.34 -67.24 0.27 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.708 1.603 . . . . 0.0 112.654 166.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.463 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.52 -36.63 79.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 128.002 2.521 . . . . 0.0 109.391 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -53.62 53.6 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.939 1.296 . . . . 0.0 108.802 167.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.91 -45.7 70.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -160.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASN . . . . . 0.413 HD21 ' HE2' ' B' ' 19' ' ' LYS . 67.3 m-20 -52.74 -46.06 67.27 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 129.019 2.928 . . . . 0.0 115.975 174.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.02 -28.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.908 0.776 . . . . 0.0 111.605 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.4 -32.38 54.77 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.027 0.931 . . . . 0.0 112.914 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.47 HG13 ' H ' ' B' ' 27' ' ' ASN . 14.2 pt -77.34 -65.12 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -172.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.47 ' H ' HG13 ' B' ' 26' ' ' ILE . 70.5 m-80 -141.74 11.5 2.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.115 2.166 . . . . 0.0 111.584 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 66.33 151.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.854 2.861 . . . . 0.0 116.602 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 54.6 26.67 7.61 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 165.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -73.55 -29.96 62.77 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.043 -1.661 . . . . 0.0 115.303 -171.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 -31.77 35.15 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.334 -1.479 . . . . 0.0 113.848 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.5 HG21 HG21 ' A' ' 32' ' ' ILE . 1.8 mp -64.85 -34.68 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.29 -49.31 69.92 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.445 1.098 . . . . 0.0 109.189 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.44 -47.46 86.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.041 -1.457 . . . . 0.0 111.141 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -52.92 -53.82 43.88 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.913 1.688 . . . . 0.0 111.745 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -70.9 -35.67 72.39 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.434 1.016 . . . . 0.0 111.646 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -40.6 97.87 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.585 0.707 . . . . 0.0 111.051 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.84 -53.67 20.1 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 126.749 2.02 . . . . 0.0 110.497 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -57.77 -41.82 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.484 0.584 . . . . 0.0 111.5 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.16 -25.39 62.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.645 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.33 -27.69 68.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.771 1.169 . . . . 0.0 112.215 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.01 -51.79 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 120.468 -1.395 . . . . 0.0 109.975 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.95 -40.29 79.04 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -167.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 t -124.7 -28.67 3.52 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.514 1.125 . . . . 0.0 113.519 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.18 72.64 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.73 1.15 . . . . 0.0 112.994 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.56 45.99 18.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.47 1.908 . . . . 0.0 113.368 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -57.65 140.83 50.23 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.481 -0.762 . . . . 0.0 110.6 163.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -152.99 115.42 4.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.084 1.354 . . . . 0.0 110.1 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.52 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.68 164.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.321 1.848 . . . . 0.0 109.489 -177.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -76.24 60.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.111 2.564 . . . . 0.0 114.505 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.86 69.69 Favored Glycine 0 N--CA 1.468 0.806 0 C-N-CA 127.448 2.451 . . . . 0.0 115.149 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.22 -61.08 2.87 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.057 1.928 . . . . 0.0 110.393 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.52 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.0 t -61.83 -36.29 80.76 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.975 -1.078 . . . . 0.0 113.201 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -55.41 -55.74 28.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.887 1.275 . . . . 0.0 111.107 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.519 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.3 tptt -60.72 -41.43 95.27 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.229 1.411 . . . . 0.0 112.556 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.88 98.46 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.697 1.59 . . . . 0.0 111.929 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.83 -42.97 84.96 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 120.024 -1.672 . . . . 0.0 112.616 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.4 p -82.69 -24.38 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.221 0.608 . . . . 0.0 112.218 -177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.37 -34.66 68.12 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.892 -1.13 . . . . 0.0 112.345 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -46.95 -56.77 5.81 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.291 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 118.849 0.75 . . . . 0.0 112.339 175.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.08 -19.41 31.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.917 0.887 . . . . 0.0 113.2 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.252 24.4 mtt180 -117.18 -32.23 5.07 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 158.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.2 -46.66 87.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.036 1.743 . . . . 0.0 113.605 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -75.65 -38.22 59.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.081 1.352 . . . . 0.0 112.719 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -87.76 -55.87 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.587 1.555 . . . . 0.0 115.078 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -104.29 -78.17 0.56 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.395 1.878 . . . . 0.0 113.443 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.531 2.332 . . . . 0.0 112.435 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.085 0.469 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 3.8 ttp180 -71.29 152.69 43.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.846 1.258 . . . . 0.0 112.716 -169.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -120.65 8.04 10.6 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.489 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 51.1 m 50.93 -91.67 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.421 2.288 . . . . 0.0 114.997 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -131.96 96.36 3.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 121.395 1.907 . . . . 0.0 111.044 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.4 -33.84 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.068 1.347 . . . . 0.0 111.477 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.76 1.81 52.58 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.542 1.544 . . . . 0.0 115.425 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -135.79 -50.82 0.72 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.259 1.53 . . . . 0.0 110.072 160.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.73 36.61 18.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.459 1.504 . . . . 0.0 113.473 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.65 168.28 13.44 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.49 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -28.11 -49.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.27 -29.04 57.29 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.293 -1.504 . . . . 0.0 114.273 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -94.62 7.96 43.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.628 2.771 . . . . 0.0 113.188 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.51 -9.49 58.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.725 -1.235 . . . . 0.0 113.514 -170.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -45.0 -27.87 0.6 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.173 1.389 . . . . 0.0 113.845 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -49.29 -71.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.808 1.643 . . . . 0.0 113.467 163.123 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.1 mm? -67.67 -36.62 81.05 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.531 2.332 . . . . 0.0 109.698 -172.071 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -51.39 -48.96 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 129.944 3.297 . . . . 0.0 111.306 166.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.88 -41.38 62.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 117.554 -1.659 . . . . 0.0 107.927 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.57 -34.29 76.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.332 1.853 . . . . 0.0 114.396 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.4 pt -80.22 -28.45 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.317 0.962 . . . . 0.0 112.737 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -72.45 -32.92 66.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.566 0.746 . . . . 0.0 112.582 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 125.059 1.343 . . . . 0.0 113.653 176.501 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' A' ' 34' ' ' LEU . 55.8 t80 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.06 -41.52 7.7 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.444 -1.41 . . . . 0.0 113.353 168.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.01 -39.72 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.252 -0.905 . . . . 0.0 111.489 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.78 -39.32 68.29 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.687 -0.633 . . . . 0.0 110.478 170.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mt -64.45 -46.98 80.76 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 117.195 -1.383 . . . . 0.0 110.788 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.4 tp -51.59 -56.12 15.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.409 1.459 . . . . 0.0 111.642 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -67.08 -38.89 86.52 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 121.381 0.61 . . . . 0.0 111.804 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -60.06 -44.79 94.47 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.565 0.697 . . . . 0.0 110.96 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.93 -55.49 14.37 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.869 2.068 . . . . 0.0 110.741 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.64 -43.15 82.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.882 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.49 -29.16 64.5 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 118.574 -1.25 . . . . 0.0 113.643 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.06 -23.18 63.04 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.191 -0.943 . . . . 0.0 111.532 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.55 -46.52 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 120.909 -1.119 . . . . 0.0 109.955 172.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -66.57 -47.83 71.56 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.256 1.022 . . . . 0.0 113.705 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -121.75 -28.93 4.43 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.304 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.93 -19.79 75.61 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 113.598 171.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 56.97 45.06 21.87 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.533 1.933 . . . . 0.0 114.048 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -57.48 143.32 41.03 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.277 -0.889 . . . . 0.0 110.277 160.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -144.25 122.05 11.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.262 1.025 . . . . 0.0 111.844 -174.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -164.43 171.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 127.607 2.363 . . . . 0.0 108.922 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.27 -170.77 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.353 1.861 . . . . 0.0 113.524 162.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.6 -6.38 0.47 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 117.458 1.743 . . . . 0.0 117.458 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -47.93 -64.41 0.8 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.913 1.856 . . . . 0.0 111.504 169.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 t -66.69 -36.64 82.99 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.888 -1.132 . . . . 0.0 113.094 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -52.22 -56.17 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.677 1.191 . . . . 0.0 110.209 170.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -60.51 -45.12 94.96 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-O 116.705 -1.617 . . . . 0.0 112.47 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.585 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -51.81 -53.24 42.35 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.004 1.729 . . . . 0.0 111.768 171.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.25 -18.02 43.93 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 119.908 -1.745 . . . . 0.0 115.011 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.7 p -89.07 -26.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.592 0.633 . . . . 0.0 112.027 169.242 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.7 t -67.7 -30.01 69.41 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.508 -1.37 . . . . 0.0 112.089 171.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.93 -57.05 4.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.151 167.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -36.7 77.7 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.651 0.659 . . . . 0.0 112.072 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.0 -19.73 5.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -123.43 -26.63 4.21 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 162.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -65.39 -45.38 84.22 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.743 1.611 . . . . 0.0 112.987 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.9 -37.51 64.64 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.906 -1.121 . . . . 0.0 112.159 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.42 -60.5 1.82 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -102.67 -37.12 8.06 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -157.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.704 2.002 . . . . 0.0 112.211 -177.169 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -139.59 145.9 39.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.387 1.475 . . . . 0.0 110.98 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.08 8.79 11.64 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.453 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 56.2 m 50.87 -92.02 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.204 2.202 . . . . 0.0 114.269 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.83 95.46 3.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.991 1.723 . . . . 0.0 110.398 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -76.13 -34.42 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.97 0.908 . . . . 0.0 110.89 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.31 7.65 56.95 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.858 1.218 . . . . 0.0 113.957 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -139.65 -65.9 0.46 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.836 1.654 . . . . 0.0 110.511 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER 47.85 35.65 5.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.45 1.9 . . . . 0.0 114.441 -177.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -63.8 171.88 2.51 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 126.27 1.828 . . . . 0.0 112.467 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -39.66 -41.26 1.04 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.169 2.285 . . . . 0.0 117.169 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.15 -33.61 43.94 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.407 -1.433 . . . . 0.0 113.787 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.8 11.14 25.71 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.332 2.253 . . . . 0.0 113.052 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.2 -10.34 58.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.879 1.672 . . . . 0.0 114.353 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -41.92 -33.42 0.54 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.005 1.722 . . . . 0.0 113.676 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 1.3 tptp -48.55 -69.69 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.349 1.86 . . . . 0.0 113.029 165.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.575 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -67.41 -37.31 82.89 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.417 1.887 . . . . 0.0 109.843 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -53.94 -51.8 62.66 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 125.065 1.346 . . . . 0.0 108.561 169.191 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.442 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.1 tm? -68.74 -44.82 73.0 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -165.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.92 -37.48 68.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 128.187 2.595 . . . . 0.0 115.409 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -81.34 -27.26 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.348 0.976 . . . . 0.0 112.791 172.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -76.4 -31.66 58.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.409 1.083 . . . . 0.0 112.702 -176.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.4 pt -76.17 -176.43 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.981 1.312 . . . . 0.0 113.37 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -61.21 -28.88 69.46 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -150.38 144.03 25.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.512 1.125 . . . . 0.0 112.008 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.0 146.22 55.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.277 1.031 . . . . 0.0 111.939 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' TYR . . . . . 0.516 ' CE2' HD21 ' B' ' 34' ' ' LEU . 46.3 t80 -142.21 -36.05 0.42 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -160.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.21 -45.04 5.51 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.051 1.341 . . . . 0.0 113.068 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.23 -40.2 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.506 1.122 . . . . 0.0 112.094 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.16 -43.39 67.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 171.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.516 HD21 ' CE2' ' B' ' 30' ' ' TYR . 5.7 mt -61.89 -47.34 85.41 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.377 174.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 tp -52.0 -56.35 14.83 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.842 1.201 . . . . 0.0 112.112 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -68.36 -38.66 81.63 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.913 0.778 . . . . 0.0 111.464 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 t -61.28 -43.93 98.07 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.522 0.677 . . . . 0.0 110.718 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.29 -56.39 12.98 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.341 1.856 . . . . 0.0 110.763 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.77 -43.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.097 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.91 -29.27 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -69.88 -24.82 63.47 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.502 1.046 . . . . 0.0 111.139 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.1 -46.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.918 -1.113 . . . . 0.0 110.139 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.4 -46.48 69.88 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.6 t -120.62 -30.67 4.45 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.542 1.137 . . . . 0.0 113.192 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.81 -13.88 69.61 Favored Glycine 0 CA--C 1.541 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 114.248 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.307 74.4 p 52.46 39.91 28.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.36 2.264 . . . . 0.0 115.648 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -55.61 145.86 22.29 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.4 -0.813 . . . . 0.0 110.54 159.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -146.28 127.35 14.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.501 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.13 170.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 127.389 2.276 . . . . 0.0 109.009 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.17 -170.86 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.674 1.59 . . . . 0.0 111.822 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.67 -7.01 0.13 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 44.5 m -46.62 -67.63 0.26 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.723 1.762 . . . . 0.0 111.854 170.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -67.19 -35.25 79.25 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.096 -1.003 . . . . 0.0 113.021 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -52.31 -54.92 25.35 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 110.109 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.4 tptt -62.91 -42.81 99.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 124.748 1.219 . . . . 0.0 112.48 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.622 ' O ' HG22 ' B' ' 59' ' ' THR . 12.8 mptt -53.53 -53.01 57.67 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.467 1.485 . . . . 0.0 111.704 171.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.82 -20.33 39.3 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 119.68 -1.888 . . . . 0.0 114.838 -173.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.9 p -85.82 -26.36 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.68 0.673 . . . . 0.0 111.91 169.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.622 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.8 t -68.04 -32.8 73.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.584 -1.322 . . . . 0.0 111.356 171.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.68 -57.02 4.56 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.485 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -38.07 80.14 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.34 -18.0 9.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.326 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -121.86 -26.21 4.86 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 159.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.01 -47.52 82.75 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.381 1.901 . . . . 0.0 112.46 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -73.37 -35.82 65.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.303 1.441 . . . . 0.0 112.235 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -87.42 -60.48 1.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -176.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.06 -41.21 4.76 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -162.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -168.581 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 36.6 ttp180 -130.22 142.96 50.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.371 1.469 . . . . 0.0 110.821 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.4 mmt -124.66 73.41 1.26 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.78 0.8 . . . . 0.0 109.37 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.436 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 20.2 m -53.73 124.01 13.95 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.016 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' H ' ' HE2' ' A' ' 19' ' ' LYS 0.482 0.0 OUTLIER 35.69 67.54 0.28 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.284 3.434 . . . . 0.0 117.273 177.804 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 9' ' ' ILE . 1.3 mt -62.28 -30.29 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 169.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.09 5.03 57.44 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.089 0.852 . . . . 0.0 114.705 -167.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -140.83 -73.32 0.34 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.231 1.412 . . . . 0.0 111.233 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.11 47.29 19.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.764 2.026 . . . . 0.0 115.836 172.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -130.06 139.09 51.03 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -174.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.356 2.8 t 49.32 -84.15 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 129.819 3.247 . . . . 0.0 113.212 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 -29.11 70.22 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.226 1.01 . . . . 0.0 112.736 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -105.36 6.86 33.01 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 0.0 112.867 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.77 -15.03 61.07 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.94 -28.36 0.66 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.2 tptt -48.9 -70.67 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.107 1.763 . . . . 0.0 113.698 163.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.6 mm? -68.04 -34.69 76.96 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 126.302 1.841 . . . . 0.0 110.331 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -52.55 -47.87 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 128.909 2.884 . . . . 0.0 110.936 168.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.73 -39.88 63.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.016 -1.874 . . . . 0.0 108.364 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 19' ' ' LYS . 89.3 m-20 -64.44 -22.44 66.96 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -91.33 -27.16 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.94 1.245 . . . . 0.0 112.703 167.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.85 -29.51 65.66 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.069 0.947 . . . . 0.0 112.497 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.1 pt . . . . . 0 N--CA 1.477 0.915 0 C-N-CA 125.249 1.42 . . . . 0.0 113.494 173.629 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.2 t80 . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.0 55.1 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CG2' ' B' ' 32' ' ' ILE . 40.7 mm -74.42 -22.07 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 120.889 -1.132 . . . . 0.0 113.184 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.49 -41.9 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.632 -1.293 . . . . 0.0 110.177 171.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.38 -43.49 98.78 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.546 1.138 . . . . 0.0 111.093 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD13 ' HG ' ' A' ' 60' ' ' LEU . 48.4 tp -53.19 -51.58 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.153 1.342 . . . . 0.0 111.238 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 m -65.0 -43.69 91.72 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 119.172 0.896 . . . . 0.0 111.988 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.1 p -61.82 -38.74 89.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.248 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.18 -52.67 13.28 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 126.086 1.755 . . . . 0.0 111.422 -174.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.88 -42.27 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 121.609 -0.682 . . . . 0.0 110.933 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.92 -27.32 61.8 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 118.492 -1.283 . . . . 0.0 113.342 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -67.87 -22.73 65.1 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.021 -1.049 . . . . 0.0 111.71 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.14 -47.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.579 -1.325 . . . . 0.0 110.43 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.55 -47.42 75.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 0.0 113.508 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -118.6 -33.06 4.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.609 1.164 . . . . 0.0 112.868 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -19.33 71.88 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 121.184 -0.948 . . . . 0.0 113.739 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.78 41.62 21.35 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.629 1.972 . . . . 0.0 114.272 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.41 145.19 56.47 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.073 -1.017 . . . . 0.0 110.821 161.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -150.67 137.1 18.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.392 1.077 . . . . 0.0 112.423 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.501 HG13 ' H ' ' A' ' 53' ' ' THR . 3.0 p -163.42 164.87 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 127.203 2.201 . . . . 0.0 109.545 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.65 -22.83 64.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -163.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.06 -11.46 0.03 OUTLIER Glycine 0 N--CA 1.467 0.719 0 C-N-CA 124.818 1.199 . . . . 0.0 114.185 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -49.88 -58.2 5.89 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.819 1.248 . . . . 0.0 110.691 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.501 ' H ' HG13 ' A' ' 49' ' ' VAL . 9.9 t -65.49 -44.33 87.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.261 -0.899 . . . . 0.0 112.531 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -47.09 -53.17 13.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.97 0.908 . . . . 0.0 110.655 172.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.8 tptt -60.64 -43.6 97.37 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.666 1.586 . . . . 0.0 112.369 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' HD23 ' A' ' 60' ' ' LEU . 2.1 mptm? -57.62 -52.07 66.92 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.704 1.593 . . . . 0.0 111.717 172.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -70.28 -34.42 72.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 119.605 -1.934 . . . . 0.0 111.553 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.1 p -78.83 -30.65 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.27 0.628 . . . . 0.0 112.548 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 t -71.94 -35.51 69.62 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.276 -1.515 . . . . 0.0 111.966 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 56' ' ' LYS . 2.1 mm? -46.32 -59.73 2.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.458 1.103 . . . . 0.0 110.048 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -40.33 82.59 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.513 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.46 -15.17 24.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.547 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -112.09 -32.3 6.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 159.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -67.4 -44.87 77.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 121.583 1.992 . . . . 0.0 113.868 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -73.64 -31.0 63.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.868 1.267 . . . . 0.0 112.685 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -101.77 -65.07 1.0 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -92.93 -41.46 10.01 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -163.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.988 1.315 . . . . 0.0 113.141 -171.617 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 17.1 ttp180 -129.23 152.77 48.44 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.427 1.891 . . . . 0.0 111.361 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -121.12 11.66 10.95 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.488 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.257 49.1 m 48.13 -90.97 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.218 2.207 . . . . 0.0 115.458 -178.241 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 90.67 2.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 121.699 2.045 . . . . 0.0 112.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -72.02 -31.2 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 110.894 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.67 4.79 65.31 Favored Glycine 0 CA--C 1.545 1.949 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.64 -63.76 0.61 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.556 1.178 . . . . 0.0 111.236 168.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.28 31.38 11.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -62.21 168.21 3.55 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 124.851 1.26 . . . . 0.0 111.543 175.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.1 t -33.66 -47.55 0.24 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -72.13 -34.32 68.48 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.392 -1.443 . . . . 0.0 113.724 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -94.71 11.9 29.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.358 2.663 . . . . 0.0 112.875 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.55 -9.4 59.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 113.465 -171.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -44.37 -27.47 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.103 1.361 . . . . 0.0 114.502 -177.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.3 tptp -50.9 -69.47 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.639 1.575 . . . . 0.0 113.673 163.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.486 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -67.93 -39.01 83.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 127.505 2.322 . . . . 0.0 109.327 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -47.66 -49.86 26.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 130.084 3.354 . . . . 0.0 111.513 165.799 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.81 -43.76 57.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 118.107 -1.437 . . . . 0.0 108.608 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.08 -33.56 72.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.217 1.807 . . . . 0.0 114.058 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 pt -82.97 -28.65 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.65 -33.62 69.06 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 112.518 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 pt -77.53 -178.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 124.548 1.139 . . . . 0.0 113.522 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -63.79 -29.03 70.28 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 -167.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -147.86 156.56 42.83 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.426 1.09 . . . . 0.0 112.412 168.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -62.13 149.74 40.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.97 1.308 . . . . 0.0 112.147 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -137.4 -42.47 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -170.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.31 -43.37 0.79 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.918 1.687 . . . . 0.0 113.908 168.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.424 ' CG2' HG21 ' A' ' 32' ' ' ILE . 2.0 mp -66.98 -39.84 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.284 1.034 . . . . 0.0 112.113 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.65 -38.75 75.62 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.238 -0.914 . . . . 0.0 110.19 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.03 -45.22 94.55 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.542 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.29 -53.79 32.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.767 1.621 . . . . 0.0 111.256 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.4 -39.7 95.21 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.336 1.065 . . . . 0.0 113.03 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -41.82 99.01 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.667 1.222 . . . . 0.0 111.446 177.084 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.58 -54.4 16.81 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.923 2.089 . . . . 0.0 110.558 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -58.5 -40.53 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 O-C-N 121.658 -0.651 . . . . 0.0 111.566 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -70.57 -27.1 63.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.082 175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -63.59 -31.39 72.54 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.601 1.091 . . . . 0.0 112.047 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.4 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.6 mp -76.32 -51.81 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 120.333 -1.479 . . . . 0.0 110.515 169.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -66.72 -39.48 88.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.941 1.296 . . . . 0.0 113.797 -167.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -133.56 -23.14 1.87 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.609 1.164 . . . . 0.0 113.805 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.16 -21.69 73.95 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 119.656 1.117 . . . . 0.0 112.134 167.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 59.32 48.69 9.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.528 1.931 . . . . 0.0 112.797 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -51.56 131.62 29.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.598 -0.689 . . . . 0.0 109.834 163.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -139.53 33.34 2.05 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.483 1.513 . . . . 0.0 113.157 -167.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -89.48 170.72 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 127.403 2.281 . . . . 0.0 110.627 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.81 -170.38 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.753 2.021 . . . . 0.0 112.916 162.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.28 -7.4 0.36 Allowed Glycine 0 N--CA 1.472 1.062 0 N-CA-C 118.027 1.971 . . . . 0.0 118.027 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -47.51 -65.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.401 2.101 . . . . 0.0 111.688 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.3 t -68.08 -33.32 74.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.056 -1.027 . . . . 0.0 113.054 -175.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -55.41 -53.32 57.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.492 1.117 . . . . 0.0 110.24 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.458 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.3 tptt -60.5 -43.35 97.12 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 125.6 1.56 . . . . 0.0 111.997 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.52 -43.31 89.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.228 1.376 . . . . 0.0 112.236 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.31 -42.66 71.69 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.495 -1.378 . . . . 0.0 112.509 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.1 p -79.8 -29.16 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.205 0.602 . . . . 0.0 112.095 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -70.54 -33.37 71.08 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.77 -1.207 . . . . 0.0 112.251 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -58.97 3.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.014 174.693 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -35.86 81.33 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.73 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -58.97 -18.89 38.18 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -114.68 -24.62 8.65 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 159.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -75.03 -48.73 22.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 122.071 2.214 . . . . 0.0 113.332 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -67.2 -30.88 70.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.993 1.317 . . . . 0.0 112.351 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -97.99 -61.01 1.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.12 -40.32 5.24 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -155.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.966 2.106 . . . . 0.0 111.889 -178.426 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.422 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.1 ttp180 -128.18 155.32 44.67 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.189 1.795 . . . . 0.0 111.046 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -123.63 10.68 9.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.51 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 68.7 m 48.71 -82.27 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.942 2.497 . . . . 0.0 116.272 -177.458 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.3 109.11 6.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 122.268 2.304 . . . . 0.0 113.468 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -88.66 -35.19 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.112 1.765 . . . . 0.0 111.835 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.62 -5.38 26.21 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.398 1.319 . . . . 0.0 116.398 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -139.88 -44.07 0.43 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.491 1.645 . . . . 0.0 111.535 167.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.32 40.2 10.19 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.171 2.188 . . . . 0.0 115.183 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.17 171.05 15.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.072 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -24.46 -52.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.92 -22.31 42.88 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.154 -1.591 . . . . 0.0 114.149 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -100.38 8.68 43.48 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.242 3.017 . . . . 0.0 112.945 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -75.52 -12.39 60.22 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.787 -1.195 . . . . 0.0 113.629 -170.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -44.41 -28.29 0.54 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.558 1.543 . . . . 0.0 114.106 -172.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -50.89 -71.29 0.07 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.87 1.668 . . . . 0.0 113.676 163.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.579 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -66.63 -35.15 79.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.028 2.131 . . . . 0.0 109.747 -173.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -52.08 -48.05 64.88 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 129.462 3.105 . . . . 0.0 111.574 167.124 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -73.34 -40.56 64.35 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.651 -1.62 . . . . 0.0 108.825 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -66.58 -18.13 65.2 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.414 1.885 . . . . 0.0 114.943 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -95.38 -27.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.027 0.931 . . . . 0.0 113.134 165.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.37 -29.92 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.379 1.072 . . . . 0.0 112.377 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 pt . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 125.243 1.417 . . . . 0.0 113.519 173.762 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.678 ' CE2' HD11 ' A' ' 34' ' ' LEU . 68.2 t80 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -42.47 -35.11 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.055 2.142 . . . . 0.0 114.715 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.48 -35.03 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 O-C-N 121.239 -0.913 . . . . 0.0 112.255 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.87 -42.95 85.6 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 120.641 -1.287 . . . . 0.0 110.032 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 30' ' ' TYR . 4.9 mp -59.75 -51.16 70.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.499 -1.239 . . . . 0.0 109.679 172.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -49.35 -55.42 12.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.699 1.136 . . . . 0.0 111.959 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -66.43 -41.65 88.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.601 0.637 . . . . 0.0 111.58 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -42.12 93.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.273 1.035 . . . . 0.0 110.773 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' HB3' HD11 ' A' ' 57' ' ' LEU . 27.0 mm-40 -73.04 -52.26 15.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.02 1.728 . . . . 0.0 110.737 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 57' ' ' LEU . 2.0 pp -58.24 -40.75 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.9 . . . . 0.0 111.637 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.07 -26.8 62.31 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.854 -1.138 . . . . 0.0 113.267 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -66.45 -23.93 66.35 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.541 1.064 . . . . 0.0 111.79 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.09 -50.74 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 120.463 -1.398 . . . . 0.0 110.329 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.79 -45.87 80.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.159 0.983 . . . . 0.0 113.608 -170.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -118.32 -31.31 5.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.545 1.138 . . . . 0.0 112.993 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.41 -15.8 75.25 Favored Glycine 0 CA--C 1.54 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 114.14 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.309 77.2 p 54.11 44.49 29.14 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.037 2.135 . . . . 0.0 115.282 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.48 139.57 57.96 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.534 -0.728 . . . . 0.0 110.6 159.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -150.45 137.73 19.51 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.717 1.607 . . . . 0.0 110.297 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -164.84 161.66 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 126.281 1.832 . . . . 0.0 110.221 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -77.05 65.57 2.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.614 2.366 . . . . 0.0 115.157 -168.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.93 -12.14 62.75 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 127.652 2.548 . . . . 0.0 115.026 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.6 m -59.88 -58.5 8.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.232 1.516 . . . . 0.0 110.063 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.581 ' H ' HG13 ' A' ' 49' ' ' VAL . 10.9 t -64.29 -38.66 91.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.122 -0.986 . . . . 0.0 113.217 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -50.21 -56.52 10.75 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.091 0.956 . . . . 0.0 110.21 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.0 tptt -60.85 -43.9 97.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 124.94 1.296 . . . . 0.0 112.845 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 59' ' ' THR . 1.3 mptm? -60.93 -44.84 96.64 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.918 1.69 . . . . 0.0 112.247 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 39' ' ' ILE . 3.3 mm? -81.23 -26.47 35.84 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 119.921 -1.737 . . . . 0.0 113.695 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.2 p -77.87 -29.03 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 119.297 0.953 . . . . 0.0 111.832 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.4 t -72.49 -32.97 66.62 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.307 -1.496 . . . . 0.0 112.32 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.87 -55.83 6.18 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.094 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -40.31 78.36 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.72 -15.99 14.55 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.641 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -111.22 -36.57 5.56 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 160.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.909 1.686 . . . . 0.0 112.855 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -73.59 -34.17 64.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.675 1.59 . . . . 0.0 112.273 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.13 -63.16 1.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -87.17 -44.26 11.62 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -164.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.405 1.482 . . . . 0.0 113.088 -171.323 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 122.299 1.047 . . . . 0.0 113.032 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.574 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 51.5 ttp180 -57.79 149.89 21.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.146 2.579 . . . . 0.0 112.519 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -126.61 59.58 1.36 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.722 0.772 . . . . 0.0 112.354 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.1 m -66.66 109.16 2.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.24 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -130.38 139.05 50.66 Favored 'General case' 0 CA--C 1.536 0.412 1 C-N-CA 135.814 5.645 . . . . 0.0 107.003 -6.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -89.94 -30.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.393 0.677 . . . . 0.0 112.46 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.98 6.85 63.04 Favored Glycine 0 CA--C 1.545 1.908 0 C-N-CA 124.498 1.047 . . . . 0.0 114.383 -171.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.53 -65.41 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.441 1.496 . . . . 0.0 110.604 167.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.42 34.09 17.38 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.379 1.472 . . . . 0.0 114.017 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.45 166.99 2.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.156 1.782 . . . . 0.0 111.723 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -37.67 -43.0 0.6 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -173.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -31.95 51.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.21 -1.556 . . . . 0.0 113.79 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -91.39 8.49 35.97 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.941 2.496 . . . . 0.0 113.113 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.17 -10.77 59.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 113.879 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.45 -28.91 0.62 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.231 1.412 . . . . 0.0 114.213 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.574 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.7 tptt -48.29 -70.34 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.568 1.547 . . . . 0.0 112.338 164.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.559 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.6 -36.92 79.35 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.741 2.416 . . . . 0.0 110.107 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -52.21 66.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.132 1.373 . . . . 0.0 108.433 169.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -38.83 69.85 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 115.905 -2.318 . . . . 0.0 106.618 -164.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -54.75 -34.76 62.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.117 2.167 . . . . 0.0 116.201 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.4 pt -81.44 -27.19 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 121.909 2.14 . . . . 0.0 112.654 169.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -78.72 -31.61 46.48 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.43 1.092 . . . . 0.0 113.178 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.6 pt -77.74 -169.05 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 125.036 1.334 . . . . 0.0 113.38 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -49.2 -42.89 41.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.628 2.371 . . . . 0.0 114.782 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -155.03 161.48 41.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.428 1.491 . . . . 0.0 111.846 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.15 144.39 45.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.349 1.06 . . . . 0.0 111.924 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -140.35 -32.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -167.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.03 -40.22 60.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.546 1.521 . . . . 0.0 112.255 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.4 -40.36 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.388 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -59.23 -41.11 87.91 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.364 -0.835 . . . . 0.0 110.742 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.42 -40.77 96.41 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 116.353 -1.784 . . . . 0.0 111.592 171.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.9 tp -54.29 -55.43 28.39 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 121.187 1.812 . . . . 0.0 111.081 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.0 t -66.54 -37.39 84.88 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 121.879 0.847 . . . . 0.0 111.904 -176.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t -61.28 -45.51 94.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.638 0.732 . . . . 0.0 110.729 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.32 -50.25 41.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.822 2.049 . . . . 0.0 111.838 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.1 -40.74 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 121.503 -0.748 . . . . 0.0 111.188 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.69 -25.18 61.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 118.681 -1.208 . . . . 0.0 113.966 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.26 -28.62 70.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.274 0.943 . . . . 0.0 111.459 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.95 -51.58 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.706 -1.246 . . . . 0.0 110.824 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.78 -39.01 92.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.658 1.183 . . . . 0.0 113.547 -168.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -127.67 -32.47 2.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.67 1.188 . . . . 0.0 113.647 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.36 -22.22 72.8 Favored Glycine 0 CA--C 1.535 1.33 0 O-C-N 121.0 -1.062 . . . . 0.0 113.01 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m 54.41 47.36 23.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.334 1.854 . . . . 0.0 112.806 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.86 -66.07 0.28 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.569 2.348 . . . . 0.0 113.721 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 50.03 46.64 24.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.474 2.31 . . . . 0.0 114.964 164.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.14 -163.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.251 1.02 . . . . 0.0 110.458 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.95 -178.69 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 162.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.35 -7.14 0.79 Allowed Glycine 0 N--CA 1.471 1.0 0 O-C-N 119.929 -1.732 . . . . 0.0 117.395 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -46.92 -64.06 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.662 2.231 . . . . 0.0 111.81 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.4 t -66.23 -35.25 79.93 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.976 -1.078 . . . . 0.0 112.617 -174.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -56.26 -55.47 32.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.045 1.338 . . . . 0.0 110.688 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.468 ' HA ' HG12 ' B' ' 58' ' ' VAL . 24.3 tptt -60.93 -43.36 98.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 125.833 1.653 . . . . 0.0 112.295 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -56.69 -44.93 81.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.359 1.436 . . . . 0.0 111.834 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.98 -39.26 72.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 119.74 -1.85 . . . . 0.0 113.243 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.9 p -82.68 -25.22 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.972 0.509 . . . . 0.0 112.167 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.758 -1.214 . . . . 0.0 112.024 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.89 -59.26 2.92 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.457 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -37.76 84.39 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.87 -24.37 15.72 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 118.147 -0.93 . . . . 0.0 112.435 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -117.24 -27.87 6.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 166.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -66.37 -43.89 84.66 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 121.184 1.811 . . . . 0.0 112.982 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -75.28 -33.9 61.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.338 1.055 . . . . 0.0 112.467 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.47 -63.2 1.15 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -99.75 -42.7 6.73 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -160.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.355 1.862 . . . . 0.0 113.19 -175.948 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.513 0.673 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.6 ttp180 -62.18 151.31 36.34 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.515 1.126 . . . . 0.0 110.781 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -117.87 9.56 12.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.542 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 71.9 m 44.86 -88.02 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.162 2.585 . . . . 0.0 115.266 -176.382 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -126.97 90.39 3.14 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 121.04 1.746 . . . . 0.0 110.608 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.7 -39.36 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.516 -0.74 . . . . 0.0 110.45 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.72 6.78 54.28 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 124.598 1.094 . . . . 0.0 113.992 -169.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.87 -64.36 0.48 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.275 1.43 . . . . 0.0 110.621 168.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.05 34.11 16.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.436 1.494 . . . . 0.0 114.282 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 165.07 6.68 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.258 1.423 . . . . 0.0 111.218 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -32.99 -45.15 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.718 2.488 . . . . 0.0 117.718 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.67 -32.08 60.01 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.097 -1.627 . . . . 0.0 113.812 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -93.36 4.75 53.46 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.195 2.598 . . . . 0.0 113.102 174.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.7 -10.88 60.05 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.474 1.51 . . . . 0.0 114.293 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -43.5 -28.06 0.33 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.037 1.735 . . . . 0.0 114.834 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.5 tptp -50.64 -69.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.983 1.713 . . . . 0.0 112.734 163.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.535 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.13 -36.78 77.83 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.866 2.466 . . . . 0.0 109.555 -173.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -51.8 66.09 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.292 1.437 . . . . 0.0 108.362 168.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.2 tp -69.54 -46.12 67.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 117.114 -1.835 . . . . 0.0 106.616 -164.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -50.66 -42.69 56.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.997 2.519 . . . . 0.0 115.2 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -77.38 -28.07 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 119.716 1.144 . . . . 0.0 112.237 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -76.25 -30.86 58.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.986 0.915 . . . . 0.0 112.629 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.294 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 47.49 -48.73 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.362 3.065 . . . . 0.0 116.097 -141.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' B' ' 32' ' ' ILE . 18.0 mm -69.56 -27.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 126.156 1.782 . . . . 0.0 113.372 -175.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -44.68 78.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.911 0.862 . . . . 0.0 109.13 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.92 -45.98 86.84 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 117.179 -1.391 . . . . 0.0 110.473 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -50.89 -55.89 14.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.029 1.286 . . . . 0.0 112.18 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -66.52 -39.4 88.63 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 118.788 0.722 . . . . 0.0 111.626 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 t -61.03 -44.66 97.07 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.79 0.805 . . . . 0.0 110.918 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -66.04 -54.57 24.18 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.494 1.917 . . . . 0.0 110.855 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.95 -40.84 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 O-C-N 121.827 -0.546 . . . . 0.0 111.63 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.66 -27.33 63.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.118 174.027 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.84 -25.14 65.4 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.731 1.151 . . . . 0.0 111.824 172.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -82.06 -48.59 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.479 -1.388 . . . . 0.0 110.222 170.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.4 -45.72 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -171.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -118.56 -31.97 4.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.579 1.152 . . . . 0.0 113.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.08 -19.08 71.62 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.976 -1.078 . . . . 0.0 113.286 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 59.17 39.65 22.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.47 1.908 . . . . 0.0 113.803 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -66.81 135.78 54.45 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.155 -0.965 . . . . 0.0 110.254 162.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -161.86 121.66 2.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.856 1.262 . . . . 0.0 110.626 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.01 -160.6 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.937 1.695 . . . . 0.0 110.226 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -56.33 -175.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.986 1.714 . . . . 0.0 113.905 163.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.68 -6.83 0.8 Allowed Glycine 0 N--CA 1.472 1.079 0 N-CA-C 117.22 1.648 . . . . 0.0 117.22 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -48.03 -64.04 0.9 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.977 1.889 . . . . 0.0 111.432 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 t -66.7 -37.28 84.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.041 -1.037 . . . . 0.0 112.964 -174.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.24 -56.34 13.42 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.914 1.286 . . . . 0.0 110.43 169.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.9 tptt -62.76 -42.64 99.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.348 1.459 . . . . 0.0 113.321 -177.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 59' ' ' THR . 1.1 mptt -54.38 -51.85 63.51 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.74 1.609 . . . . 0.0 111.086 170.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.01 -36.28 74.99 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.136 -1.602 . . . . 0.0 112.619 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.2 p -82.24 -26.75 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.289 0.635 . . . . 0.0 112.259 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.6 t -69.84 -33.74 72.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.689 -1.257 . . . . 0.0 112.163 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.83 -56.68 5.08 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.57 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -37.3 73.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.218 -0.42 . . . . 0.0 112.108 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.81 -18.32 12.44 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.465 -0.779 . . . . 0.0 112.872 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -121.5 -23.34 5.65 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 161.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -65.3 -50.53 65.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 122.021 2.191 . . . . 0.0 112.731 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.74 -34.1 73.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.873 1.269 . . . . 0.0 112.246 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -86.5 -58.86 2.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.547 1.939 . . . . 0.0 115.736 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.11 -42.64 3.04 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -159.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.828 2.051 . . . . 0.0 112.503 -174.426 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtm . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.431 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 18.4 ttp180 -142.77 149.1 38.26 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.21 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 91.5 mmm -120.74 10.77 11.04 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.491 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 67.4 m 48.57 -93.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.239 2.216 . . . . 0.0 114.982 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.7 90.35 2.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 121.393 1.906 . . . . 0.0 110.59 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -70.46 -31.6 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 111.051 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.97 8.47 60.39 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.107 0.86 . . . . 0.0 113.581 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.26 -63.64 0.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.953 1.701 . . . . 0.0 110.969 172.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.66 41.21 25.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.829 2.052 . . . . 0.0 114.402 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.77 107.39 19.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.225 -0.922 . . . . 0.0 113.437 -158.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.6 t 50.4 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.75 2.82 . . . . 0.0 115.153 176.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.21 -32.34 72.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.792 1.237 . . . . 0.0 112.637 165.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -102.81 9.52 38.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.188 0.995 . . . . 0.0 112.453 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.44 -9.16 39.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -45.18 -29.35 0.93 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 120.194 1.361 . . . . 0.0 114.331 -175.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.0 tptp -48.28 -68.46 0.18 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.873 1.669 . . . . 0.0 113.374 164.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.482 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.91 -36.77 78.41 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.64 2.376 . . . . 0.0 109.584 -172.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -51.84 -48.27 64.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 129.169 2.988 . . . . 0.0 111.311 167.25 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.32 -44.47 58.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 118.607 -1.237 . . . . 0.0 107.911 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -60.4 -29.24 68.84 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.917 2.087 . . . . 0.0 115.257 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.52 -27.96 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 170.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.22 -30.21 64.7 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.907 0.883 . . . . 0.0 112.742 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.33 -175.48 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.304 1.441 . . . . 0.0 113.397 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.7 -28.96 64.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -170.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.16 139.45 48.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.39 1.476 . . . . 0.0 113.027 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.73 81.93 2.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.281 1.433 . . . . 0.0 111.663 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' TYR . . . . . 0.429 ' CE2' HD21 ' B' ' 34' ' ' LEU . 38.8 t80 -73.61 -33.27 64.51 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -159.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.2 -41.95 13.48 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.201 1.401 . . . . 0.0 113.316 171.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.414 ' CG2' HG21 ' A' ' 32' ' ' ILE . 1.8 mp -62.87 -40.69 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.973 0.909 . . . . 0.0 112.162 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.47 -38.55 74.71 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.503 -0.748 . . . . 0.0 110.276 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' B' ' 30' ' ' TYR . 4.0 mt -64.54 -42.68 95.58 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 117.381 -1.295 . . . . 0.0 110.664 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.1 tp -54.88 -56.97 13.7 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.093 1.315 . . . . 0.0 111.721 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -66.97 -37.01 83.47 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.066 0.936 . . . . 0.0 112.038 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -62.56 -44.47 96.26 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.688 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.17 -53.19 40.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.752 1.621 . . . . 0.0 111.283 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.41 -40.23 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.748 -0.595 . . . . 0.0 111.559 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.19 -26.01 62.77 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 118.617 -1.233 . . . . 0.0 113.5 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.12 -32.02 73.3 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.965 -1.084 . . . . 0.0 111.511 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.88 -51.22 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.152 -1.592 . . . . 0.0 110.32 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -68.41 -40.41 81.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -167.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -127.98 -26.94 2.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.875 1.27 . . . . 0.0 113.485 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -21.76 75.07 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 112.779 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.95 45.05 15.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.321 1.848 . . . . 0.0 113.113 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.01 135.87 48.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.788 1.235 . . . . 0.0 110.368 166.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -152.08 115.07 4.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.531 1.132 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.524 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.93 163.12 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.318 1.847 . . . . 0.0 109.46 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -77.05 62.85 2.24 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.863 2.465 . . . . 0.0 114.473 -168.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 -7.71 68.25 Favored Glycine 0 N--CA 1.468 0.8 0 C-N-CA 127.318 2.389 . . . . 0.0 114.895 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 74.2 m -60.84 -61.51 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.019 1.909 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.524 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.3 t -60.98 -36.75 80.26 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.92 -1.113 . . . . 0.0 113.13 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -54.31 -56.76 15.32 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.664 1.186 . . . . 0.0 110.518 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.9 tptt -59.87 -45.05 93.69 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.447 1.499 . . . . 0.0 112.766 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.413 ' O ' HG22 ' B' ' 59' ' ' THR . 1.2 mptm? -54.03 -46.8 71.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 120.749 1.613 . . . . 0.0 111.831 172.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -70.75 -38.14 73.48 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.262 -1.524 . . . . 0.0 113.297 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.8 p -84.81 -23.8 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.413 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.6 t -70.62 -34.65 72.33 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.832 -1.167 . . . . 0.0 111.398 171.209 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.03 3.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.633 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -36.98 84.65 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.148 0.431 . . . . 0.0 111.877 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -56.45 -18.92 12.83 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -122.04 -27.8 4.52 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 159.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -63.17 -46.92 84.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.943 1.701 . . . . 0.0 113.007 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -72.67 -38.3 67.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.414 1.086 . . . . 0.0 112.246 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -86.9 -56.0 3.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.69 -35.4 4.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -157.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.442 1.897 . . . . 0.0 112.607 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.425 0.155 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 18.8 ttp180 -126.45 138.46 53.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.008 0.923 . . . . 0.0 112.397 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.1 mmm -125.84 67.37 1.18 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.98 0.8 . . . . 0.0 109.868 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 34.5 m -48.82 115.07 1.13 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.963 0.887 . . . . 0.0 113.361 -171.321 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.293 1.7 mt 50.19 75.64 0.17 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 130.138 3.375 . . . . 0.0 113.8 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -67.51 -32.46 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.271 170.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.48 0.63 56.73 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.838 1.685 . . . . 0.0 114.791 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -135.45 -58.11 0.79 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.539 1.17 . . . . 0.0 110.174 168.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 41.65 24.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 114.589 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.15 100.99 13.71 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.115 0.966 . . . . 0.0 113.307 -161.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.317 4.5 t 52.83 -69.44 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 128.898 2.879 . . . . 0.0 115.585 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.71 -28.28 68.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.658 -1.276 . . . . 0.0 112.253 165.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -101.07 6.62 43.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.382 1.073 . . . . 0.0 111.849 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.4 -9.3 55.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -43.6 -31.26 0.72 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 120.62 1.554 . . . . 0.0 114.688 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 1.2 tptt -49.95 -66.42 0.4 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.413 1.485 . . . . 0.0 112.447 167.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -70.77 -37.05 73.33 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.539 2.336 . . . . 0.0 109.771 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.24 -51.58 66.14 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.731 1.212 . . . . 0.0 108.853 169.132 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' HD3' ' A' ' 5' ' ' ARG . 1.4 tm? -68.72 -45.13 72.34 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -164.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -54.51 -45.3 73.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.536 2.334 . . . . 0.0 115.247 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 pt -74.58 -26.48 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.696 1.589 . . . . 0.0 112.332 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 tp -76.82 -32.78 57.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.117 0.967 . . . . 0.0 112.633 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 124.846 1.259 . . . . 0.0 113.026 174.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.03 27.2 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.132 0.878 . . . . 0.0 112.496 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 64' ' ' PHE . 24.2 mm -74.64 -30.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.71 -41.24 97.34 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.126 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.99 -47.35 85.5 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.264 -1.35 . . . . 0.0 111.91 169.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD22 HD22 ' B' ' 35' ' ' LEU . 4.6 tt -49.35 -54.9 14.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.941 1.246 . . . . 0.0 110.988 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.413 ' HG ' ' HE2' ' B' ' 64' ' ' PHE . 57.7 p -64.0 -38.63 91.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 119.176 0.898 . . . . 0.0 112.644 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -63.48 -42.66 98.57 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 122.649 1.214 . . . . 0.0 109.921 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.02 -53.44 20.47 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.873 2.469 . . . . 0.0 110.737 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.52 -43.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.88 -0.512 . . . . 0.0 111.0 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.94 -28.22 63.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.218 -0.993 . . . . 0.0 113.31 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.47 -31.2 71.8 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.336 0.971 . . . . 0.0 110.358 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.94 -43.84 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 120.933 -1.104 . . . . 0.0 110.342 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.09 -50.19 56.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.315 1.046 . . . . 0.0 113.822 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -120.24 -29.35 4.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.579 1.152 . . . . 0.0 113.224 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.53 -20.0 73.36 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 113.618 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.08 45.71 20.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.742 2.017 . . . . 0.0 113.827 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -58.72 149.59 25.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.186 0.994 . . . . 0.0 110.944 165.355 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.59 117.35 10.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.272 1.029 . . . . 0.0 111.384 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -160.74 167.25 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.659 1.984 . . . . 0.0 109.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -64.07 -170.58 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.297 1.839 . . . . 0.0 112.013 167.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.41 -6.3 0.27 Allowed Glycine 0 N--CA 1.472 1.097 0 N-CA-C 118.032 1.973 . . . . 0.0 118.032 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.9 m -46.11 -66.75 0.36 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.82 1.81 . . . . 0.0 111.72 170.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -67.19 -36.47 81.83 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.35 -0.844 . . . . 0.0 112.72 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -52.73 -53.32 49.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.816 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.2 tptt -64.74 -44.0 91.54 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 125.009 1.324 . . . . 0.0 112.301 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 59' ' ' THR . 12.0 mptt -52.62 -50.53 62.93 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.349 1.431 . . . . 0.0 110.889 168.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.09 -36.72 77.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 119.839 -1.788 . . . . 0.0 113.022 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.0 p -84.2 -27.25 7.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.528 0.731 . . . . 0.0 112.148 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.5 t -71.34 -34.26 70.35 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.739 -1.226 . . . . 0.0 112.181 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.98 -60.3 2.34 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.258 1.423 . . . . 0.0 109.793 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -36.67 74.79 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.684 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.32 -20.8 20.63 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.683 -0.675 . . . . 0.0 112.578 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -114.09 -31.87 6.21 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 167.225 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' HD11 ' A' ' 32' ' ' ILE . 52.7 t80 -65.7 -55.25 18.38 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.306 0.957 . . . . 0.0 113.46 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -68.37 -34.51 76.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.974 1.31 . . . . 0.0 112.267 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.43 -59.34 2.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 115.448 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -106.35 -47.21 3.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -161.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.533 1.933 . . . . 0.0 112.926 -171.884 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.556 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 36.5 ttp180 -100.92 142.47 32.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -121.22 67.05 0.87 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.571 0.7 . . . . 0.0 109.605 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 57.5 m -50.45 114.01 1.02 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.052 0.929 . . . . 0.0 112.759 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt 51.58 73.42 0.31 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.175 2.99 . . . . 0.0 113.987 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.92 -31.75 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.464 1.106 . . . . 0.0 111.467 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.79 2.4 56.23 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.952 1.739 . . . . 0.0 114.854 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.96 -55.04 0.66 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.722 1.209 . . . . 0.0 110.869 168.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.75 39.31 31.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 114.515 176.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.81 108.0 20.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -159.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.333 5.0 t 50.78 -72.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.961 2.905 . . . . 0.0 115.703 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.58 -29.89 71.08 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.662 -1.274 . . . . 0.0 112.092 166.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -99.5 5.0 46.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.847 1.659 . . . . 0.0 111.985 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.96 -8.54 45.54 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.488 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.41 -28.29 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 121.011 1.732 . . . . 0.0 114.903 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.556 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.5 OUTLIER -51.92 -67.64 0.23 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.019 1.728 . . . . 0.0 113.584 165.637 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.542 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -70.58 -35.28 72.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.725 2.41 . . . . 0.0 109.745 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.488 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -50.49 -49.86 54.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.029 2.932 . . . . 0.0 111.342 165.531 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -73.48 -40.53 64.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 117.049 -1.86 . . . . 0.0 108.813 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASN . . . . . 0.409 ' ND2' ' HD2' ' B' ' 19' ' ' LYS . 87.6 m-20 -63.54 -15.02 56.82 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.135 2.174 . . . . 0.0 116.242 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -101.42 -26.39 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.859 1.209 . . . . 0.0 113.183 164.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.39 -29.96 62.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.474 1.109 . . . . 0.0 113.064 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -76.45 -178.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.424 1.09 . . . . 0.0 113.683 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -62.17 -25.0 67.51 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -139.68 153.8 47.35 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.949 1.3 . . . . 0.0 112.685 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -72.16 129.51 38.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.588 0.755 . . . . 0.0 111.791 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -118.61 -145.46 0.38 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.945 1.298 . . . . 0.0 111.789 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 48.64 -44.41 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.736 3.214 . . . . 0.0 117.015 -153.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.415 ' CG2' HG21 ' A' ' 32' ' ' ILE . 1.7 mp -77.51 -30.06 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.111 1.364 . . . . 0.0 113.154 -164.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.35 -40.4 82.09 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.241 -0.912 . . . . 0.0 110.152 169.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.78 -46.77 88.12 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.618 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.475 HD22 HD22 ' A' ' 35' ' ' LEU . 4.8 tt -47.11 -55.81 7.7 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.135 1.334 . . . . 0.0 111.386 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -64.4 -40.98 96.85 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.317 0.962 . . . . 0.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.97 96.76 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.218 1.009 . . . . 0.0 111.337 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -69.35 -55.53 10.15 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 128.007 2.523 . . . . 0.0 110.641 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.53 -42.82 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 O-C-N 121.743 -0.598 . . . . 0.0 111.097 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.55 -29.62 63.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 119.255 -0.978 . . . . 0.0 113.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.87 -27.39 65.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.619 1.099 . . . . 0.0 110.848 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.63 -41.76 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 121.199 -0.938 . . . . 0.0 110.858 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -67.99 -52.08 39.92 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -120.25 -31.92 4.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.818 1.247 . . . . 0.0 112.882 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.49 -18.97 64.11 Favored Glycine 0 CA--C 1.538 1.528 0 O-C-N 121.186 -0.947 . . . . 0.0 113.336 170.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m 57.38 43.84 22.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 113.604 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -58.55 149.52 25.29 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.987 161.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -140.47 119.6 12.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.288 1.035 . . . . 0.0 111.301 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.97 168.12 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.894 2.078 . . . . 0.0 109.543 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -64.4 -171.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.229 1.812 . . . . 0.0 111.871 167.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.3 -5.91 0.23 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 118.064 1.986 . . . . 0.0 118.064 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 48.7 m -45.51 -68.51 0.19 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.803 1.802 . . . . 0.0 111.708 170.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.78 -35.17 78.2 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.156 -0.965 . . . . 0.0 112.874 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.51 -54.25 35.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.413 1.085 . . . . 0.0 110.516 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.501 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.9 tptt -63.72 -43.57 96.14 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 117.467 -1.254 . . . . 0.0 112.268 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.527 ' O ' HG22 ' B' ' 59' ' ' THR . 11.6 mptt -53.6 -49.28 68.15 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.255 1.389 . . . . 0.0 111.78 169.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.25 2.5 pp -81.38 -21.11 39.27 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.356 -2.09 . . . . 0.0 114.982 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.5 p -87.35 -25.73 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.409 0.684 . . . . 0.0 112.191 171.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 56' ' ' LYS . 3.7 t -70.27 -33.19 71.29 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.589 -1.32 . . . . 0.0 112.036 171.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.42 3.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.783 0.833 . . . . 0.0 110.628 174.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -37.54 77.35 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.713 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.34 -19.18 8.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -120.18 -25.81 5.63 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 161.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' PHE . . . . . 0.413 ' HE2' ' HG ' ' A' ' 36' ' ' SER . 51.2 t80 -63.27 -53.51 51.75 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.747 1.612 . . . . 0.0 113.264 174.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -70.69 -28.55 64.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.191 1.396 . . . . 0.0 113.19 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -91.92 -56.82 2.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.841 2.056 . . . . 0.0 115.608 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.49 -34.9 4.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -157.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 126.545 1.938 . . . . 0.0 112.697 -176.719 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -132.92 147.62 52.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.915 0.886 . . . . 0.0 112.919 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -122.54 12.74 10.06 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.488 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 64.4 m 47.19 -95.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.273 2.229 . . . . 0.0 114.937 -175.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -125.49 91.51 3.42 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.252 1.842 . . . . 0.0 110.14 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.59 -35.35 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.828 0.851 . . . . 0.0 110.66 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.22 -0.13 58.59 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.129 1.347 . . . . 0.0 113.7 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.86 -70.93 0.59 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.483 . . . . 0.0 108.985 171.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.77 32.08 20.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.189 1.396 . . . . 0.0 114.345 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.66 165.15 0.91 Allowed 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.966 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -38.05 -41.34 0.56 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 -34.3 57.02 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.284 -1.51 . . . . 0.0 113.545 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.2 7.98 35.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.814 2.445 . . . . 0.0 113.082 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.99 -8.97 58.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.234 1.414 . . . . 0.0 113.746 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.9 pm0 -44.57 -31.47 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.677 1.126 . . . . 0.0 113.291 -176.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.3 tptp -47.78 -67.36 0.28 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.272 1.429 . . . . 0.0 113.585 165.527 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.1 mm? -69.16 -37.33 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.531 2.333 . . . . 0.0 109.752 -173.181 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -52.59 -47.67 66.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.551 3.14 . . . . 0.0 111.085 168.332 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tt -74.55 -44.42 51.14 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.882 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.29 -28.39 66.73 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.242 2.217 . . . . 0.0 115.407 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.73 -31.82 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 169.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.33 -38.26 74.86 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.388 0.675 . . . . 0.0 111.812 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 pt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.568 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.5 t80 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -34.5 -43.92 0.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.794 2.038 . . . . 0.0 114.863 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -70.9 -32.69 49.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.67 -40.43 72.27 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.557 -0.714 . . . . 0.0 109.911 167.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.18 -47.47 82.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.531 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 60' ' ' LEU . 30.3 tp -53.89 -53.17 56.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.453 1.024 . . . . 0.0 111.646 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 t -67.23 -39.18 86.18 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.628 0.728 . . . . 0.0 111.76 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -41.08 99.06 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.535 0.683 . . . . 0.0 110.808 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.62 -55.64 12.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.226 1.81 . . . . 0.0 110.994 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.18 -43.12 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 O-C-N 121.874 -0.516 . . . . 0.0 110.858 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.57 -28.2 62.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.993 -1.083 . . . . 0.0 113.367 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.45 -24.29 64.7 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.721 1.146 . . . . 0.0 111.137 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.47 -47.42 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.85 -1.156 . . . . 0.0 110.372 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.07 -45.66 76.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -122.07 -32.13 3.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.652 1.181 . . . . 0.0 113.204 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.15 -19.56 68.26 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 121.123 -0.985 . . . . 0.0 113.308 172.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.91 45.99 17.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.667 1.987 . . . . 0.0 113.683 176.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -64.88 140.95 58.92 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.325 -0.86 . . . . 0.0 110.374 160.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -137.79 130.85 30.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.018 1.327 . . . . 0.0 110.602 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -162.68 168.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 126.761 2.024 . . . . 0.0 109.796 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.4 -169.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.795 2.038 . . . . 0.0 113.49 162.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.1 -6.47 0.37 Allowed Glycine 0 N--CA 1.474 1.214 0 N-CA-C 118.132 2.013 . . . . 0.0 118.132 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -49.2 -64.66 0.74 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.93 1.865 . . . . 0.0 111.321 170.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -67.57 -35.82 79.75 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.612 1.096 . . . . 0.0 113.191 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -51.52 -55.11 20.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.486 1.114 . . . . 0.0 110.532 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.7 tptt -62.88 -43.86 97.67 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.007 1.323 . . . . 0.0 112.868 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 59' ' ' THR . 12.7 mptt -55.39 -47.95 75.09 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.62 1.555 . . . . 0.0 111.459 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.13 -40.1 71.62 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.163 -1.586 . . . . 0.0 112.451 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.1 p -79.2 -27.43 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.689 -0.632 . . . . 0.0 111.859 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.4 t -71.8 -34.27 69.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.71 -1.243 . . . . 0.0 112.058 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 35' ' ' LEU . 1.1 mm? -46.78 -58.49 3.83 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.646 0.778 . . . . 0.0 110.358 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -37.46 76.1 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.977 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -56.47 -19.13 13.79 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 118.711 -0.662 . . . . 0.0 112.681 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -33.36 5.44 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 164.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.59 -51.61 64.57 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.146 1.339 . . . . 0.0 113.234 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -70.03 -33.88 72.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.055 1.342 . . . . 0.0 112.308 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -91.27 -58.64 2.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.385 1.874 . . . . 0.0 115.892 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -108.17 -45.47 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -158.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.076 2.15 . . . . 0.0 112.317 -173.184 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 6.0 ttp180 -142.33 143.77 32.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.437 1.095 . . . . 0.0 112.056 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.24 21.64 12.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.433 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.256 88.3 p 36.74 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.277 2.231 . . . . 0.0 114.925 -171.622 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.25 90.47 3.27 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 119.84 -1.788 . . . . 0.0 112.614 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mt -71.92 -31.13 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.206 1.402 . . . . 0.0 110.833 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . 0.414 ' HA2' HG21 ' B' ' 59' ' ' THR . . . 89.43 9.2 67.19 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 115.238 0.855 . . . . 0.0 115.238 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.14 -71.43 0.38 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.172 1.389 . . . . 0.0 111.901 173.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.93 44.34 13.68 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 169.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.12 137.38 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.349 2.9 t 50.01 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 130.037 3.335 . . . . 0.0 113.586 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.59 -28.87 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.161 0.984 . . . . 0.0 112.68 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -107.19 2.8 25.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.54 1.136 . . . . 0.0 112.99 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.91 -11.82 59.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -46.32 -29.29 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.446 1.475 . . . . 0.0 114.03 -175.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 3.0 tptp -48.32 -67.66 0.25 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.443 1.497 . . . . 0.0 113.864 164.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.534 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -69.98 -36.68 75.37 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 126.959 2.104 . . . . 0.0 109.636 -172.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -49.65 -49.93 45.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 129.397 3.079 . . . . 0.0 110.947 166.921 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.46 -47.85 53.09 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -175.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.86 -33.05 70.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.357 1.863 . . . . 0.0 114.759 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 pt -84.26 -28.98 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.994 1.27 . . . . 0.0 112.625 172.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.45 -27.67 59.0 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 pt -82.05 -176.33 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.855 1.262 . . . . 0.0 113.571 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -62.47 -27.44 69.13 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -170.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -145.39 149.58 34.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.322 0.965 . . . . 0.0 113.281 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 83.78 2.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.83 1.652 . . . . 0.0 112.034 -172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.84 -43.0 72.86 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -161.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -37.08 -42.12 0.4 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.533 1.933 . . . . 0.0 114.582 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.85 -42.25 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.381 1.072 . . . . 0.0 112.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.28 -43.51 64.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.879 0.872 . . . . 0.0 109.807 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.52 -48.12 82.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.909 174.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.88 -55.12 22.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.027 1.285 . . . . 0.0 110.907 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.03 -41.4 90.98 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.06 0.845 . . . . 0.0 111.851 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.1 t -62.24 -41.52 98.49 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.699 0.761 . . . . 0.0 110.723 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.99 -56.6 9.46 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.692 1.997 . . . . 0.0 110.903 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.57 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.82 -0.55 . . . . 0.0 111.371 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.0 -30.73 65.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.747 -1.181 . . . . 0.0 113.024 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.33 -24.37 63.91 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.614 1.097 . . . . 0.0 111.394 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.38 -47.87 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.722 -1.236 . . . . 0.0 109.919 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -72.1 -43.31 64.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -119.18 -30.91 4.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.373 1.069 . . . . 0.0 113.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.15 -15.32 72.08 Favored Glycine 0 CA--C 1.54 1.62 0 O-C-N 121.25 -0.907 . . . . 0.0 114.048 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.311 72.1 p 53.01 42.49 32.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.275 2.23 . . . . 0.0 115.336 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.94 143.17 22.32 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.701 159.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -140.9 117.79 11.1 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.383 1.073 . . . . 0.0 111.384 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -162.24 169.74 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 127.317 2.247 . . . . 0.0 109.473 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -62.11 -169.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.033 1.733 . . . . 0.0 112.003 166.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.24 0.23 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 126.363 1.935 . . . . 0.0 117.869 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -47.18 -64.64 0.73 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.763 1.782 . . . . 0.0 111.646 171.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -70.83 -33.62 70.86 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.061 -1.024 . . . . 0.0 113.458 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -52.19 -54.9 25.2 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.27 1.028 . . . . 0.0 109.926 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.529 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.6 tptt -61.03 -43.16 99.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 124.828 1.251 . . . . 0.0 112.106 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.625 ' O ' HG22 ' B' ' 59' ' ' THR . 14.0 mptt -54.6 -51.84 64.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.256 1.389 . . . . 0.0 111.945 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pp -82.06 -22.82 36.16 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 119.79 -1.818 . . . . 0.0 114.65 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.9 p -80.6 -24.68 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 118.834 0.743 . . . . 0.0 111.885 169.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.0 t -73.15 -31.01 64.0 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.596 -1.315 . . . . 0.0 112.673 171.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -48.55 -57.35 6.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.573 172.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -37.91 84.88 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 118.416 0.553 . . . . 0.0 112.14 176.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.62 -25.68 18.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.163 -0.922 . . . . 0.0 112.428 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -120.28 -19.46 7.66 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.9 -48.48 36.85 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 121.142 1.792 . . . . 0.0 112.61 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.68 -31.69 68.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.437 1.095 . . . . 0.0 112.378 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -99.27 -62.38 1.24 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -176.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -100.76 -38.11 8.42 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -158.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.561 2.344 . . . . 0.0 111.789 -177.073 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 2.8 ttp180 -119.74 150.79 39.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.64 1.176 . . . . 0.0 113.57 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.1 mmm -121.85 17.33 11.01 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.442 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 92.4 p 43.15 -95.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.302 2.641 . . . . 0.0 114.819 -176.101 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.49 89.77 2.83 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 120.388 1.449 . . . . 0.0 110.639 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.43 -32.7 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.059 1.344 . . . . 0.0 110.649 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.38 6.58 61.18 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.436 1.017 . . . . 0.0 113.462 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.01 -72.05 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.759 1.624 . . . . 0.0 108.147 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.91 39.0 31.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.472 1.509 . . . . 0.0 113.299 -176.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -58.84 167.46 1.56 Allowed 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 126.248 1.819 . . . . 0.0 112.363 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -38.58 -41.91 0.72 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.29 -31.67 49.06 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.345 -1.472 . . . . 0.0 113.774 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -93.4 12.04 26.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.921 2.489 . . . . 0.0 113.174 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.61 -9.4 58.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.461 1.504 . . . . 0.0 114.132 -174.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.7 pm0 -42.09 -31.6 0.38 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.917 1.687 . . . . 0.0 113.976 -176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.1 tptp -51.89 -67.93 0.21 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.275 1.83 . . . . 0.0 113.101 166.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.9 mm? -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.079 2.152 . . . . 0.0 109.782 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -56.24 -52.92 62.69 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 125.007 1.323 . . . . 0.0 108.986 168.332 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.36 -42.34 75.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -162.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.23 -37.52 69.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.027 2.931 . . . . 0.0 116.164 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 pt -77.71 -28.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 120.287 1.403 . . . . 0.0 112.123 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -76.73 -28.76 55.92 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.153 0.981 . . . . 0.0 112.683 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.5 pt . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 111.872 173.56 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.2 t80 . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -33.67 41.0 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.471 -1.393 . . . . 0.0 113.213 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.056 0.943 . . . . 0.0 111.715 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.13 -46.35 79.23 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.403 -0.811 . . . . 0.0 110.248 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.63 -47.59 85.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.217 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.68 -55.58 15.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.947 1.703 . . . . 0.0 111.919 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -67.58 -39.85 84.85 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.443 1.02 . . . . 0.0 111.963 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -60.57 -43.27 97.48 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.84 0.828 . . . . 0.0 110.911 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.52 -57.18 7.85 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.09 2.156 . . . . 0.0 110.575 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.91 -41.06 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 122.063 -0.398 . . . . 0.0 111.646 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.65 -27.58 63.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 118.908 -1.117 . . . . 0.0 113.389 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -65.84 -26.72 67.79 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.719 1.145 . . . . 0.0 112.16 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.44 -52.67 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 120.474 -1.391 . . . . 0.0 110.208 167.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.98 -42.21 81.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -166.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -121.25 -29.61 4.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 113.221 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.32 73.03 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 119.508 1.049 . . . . 0.0 113.602 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.295 69.7 p 52.74 45.29 28.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.966 2.106 . . . . 0.0 114.414 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -53.77 141.13 27.76 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 110.719 162.24 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -146.38 116.51 7.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.034 1.334 . . . . 0.0 110.358 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.76 171.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.0 2.12 . . . . 0.0 108.942 -174.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -62.08 -171.31 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.514 1.526 . . . . 0.0 111.692 164.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.75 -5.43 0.15 Allowed Glycine 0 N--CA 1.473 1.147 0 N-CA-C 118.256 2.062 . . . . 0.0 118.256 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -47.24 -67.29 0.29 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.324 2.062 . . . . 0.0 111.688 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -65.66 -35.84 81.93 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.898 -1.126 . . . . 0.0 112.952 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -53.21 -56.84 13.31 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 125.061 1.344 . . . . 0.0 110.282 170.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HA ' HG12 ' A' ' 58' ' ' VAL . 23.5 tptt -62.29 -43.92 97.7 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.626 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.625 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -50.42 -55.96 13.53 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.734 1.606 . . . . 0.0 111.363 170.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.4 -24.34 39.76 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 119.92 -1.737 . . . . 0.0 114.627 -171.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.5 p -79.98 -26.45 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.531 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.7 t -69.89 -34.35 73.43 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.753 -1.217 . . . . 0.0 111.321 172.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.26 -54.52 13.35 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.503 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -36.22 73.96 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.41 -21.22 14.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.428 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.93 -37.95 4.35 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 169.157 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -62.31 -49.08 77.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.01 -34.08 66.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.878 1.271 . . . . 0.0 112.563 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -92.23 -58.02 2.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.436 1.894 . . . . 0.0 116.071 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -105.34 -43.96 4.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -159.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.683 1.193 . . . . 0.0 113.243 -170.363 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 13.3 ttp180 -67.1 146.71 54.01 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.94 0.896 . . . . 0.0 113.155 -165.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.5 mmt -122.99 70.67 1.02 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.541 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 48.0 m -48.44 119.33 2.96 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.201 -175.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.439 0.0 OUTLIER 32.94 72.61 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 129.693 3.197 . . . . 0.0 117.083 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' B' ' 9' ' ' ILE . 1.4 mt -62.25 -34.37 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 126.365 1.866 . . . . 0.0 111.381 170.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -1.89 55.89 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.501 1.048 . . . . 0.0 114.925 -168.417 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -129.76 -67.77 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.795 1.297 . . . . 0.0 110.171 170.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.05 36.84 9.34 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.962 1.705 . . . . 0.0 113.761 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -64.58 172.74 2.49 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 112.399 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -39.41 -43.44 1.22 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 -171.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.18 -34.1 49.79 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.28 -1.512 . . . . 0.0 113.735 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.02 11.59 20.17 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.28 2.232 . . . . 0.0 112.962 174.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.67 -12.26 61.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.418 1.487 . . . . 0.0 114.183 -174.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.45 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.4 pm0 -44.02 -27.95 0.42 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.367 1.467 . . . . 0.0 114.613 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.8 tptp -50.48 -69.78 0.1 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.113 1.365 . . . . 0.0 112.711 163.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.673 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.6 mm? -68.12 -37.16 80.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.321 1.848 . . . . 0.0 110.294 -174.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -56.18 -51.6 67.42 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.85 1.26 . . . . 0.0 108.209 170.297 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 52.8 tp -71.77 -40.83 69.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 116.316 -2.154 . . . . 0.0 106.539 -164.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -54.18 -40.17 67.3 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.237 2.215 . . . . 0.0 115.137 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.4 pt -78.72 -26.58 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 121.025 1.738 . . . . 0.0 112.874 173.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -75.34 -33.77 61.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.593 1.157 . . . . 0.0 112.409 -175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.37 -170.92 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.051 1.341 . . . . 0.0 113.446 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -45.8 -44.82 14.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.521 2.328 . . . . 0.0 114.851 -171.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -155.31 158.92 39.51 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.184 1.393 . . . . 0.0 111.609 173.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.37 143.05 35.95 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.956 1.303 . . . . 0.0 112.073 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -137.41 -29.93 0.86 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -164.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.99 45.57 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.223 1.374 . . . . 0.0 112.984 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.08 -38.78 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.477 1.511 . . . . 0.0 112.264 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -60.03 -41.86 93.16 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 121.177 -0.952 . . . . 0.0 110.574 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.7 -39.86 95.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.244 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -56.1 -56.79 16.57 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 120.705 1.593 . . . . 0.0 111.8 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -64.98 -38.98 92.76 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 119.099 0.863 . . . . 0.0 111.528 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -61.0 -45.63 94.04 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.481 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.08 -53.01 35.0 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.053 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.18 -41.21 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.807 -0.558 . . . . 0.0 111.714 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.2 -27.12 64.25 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 118.674 -1.21 . . . . 0.0 113.321 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.1 -28.83 69.71 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.01 -1.057 . . . . 0.0 112.501 171.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.94 -52.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 120.025 -1.672 . . . . 0.0 109.641 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.24 -41.32 85.83 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -165.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -123.66 -31.69 3.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.7 1.2 . . . . 0.0 113.324 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.7 -19.08 74.6 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 119.624 1.102 . . . . 0.0 113.258 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m 56.81 55.81 5.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.806 2.042 . . . . 0.0 113.376 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -48.54 135.87 13.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.956 0.902 . . . . 0.0 109.519 158.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -139.81 86.52 2.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.847 1.259 . . . . 0.0 110.566 -169.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.94 167.68 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.873 1.669 . . . . 0.0 110.783 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.18 -167.9 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.322 2.249 . . . . 0.0 113.237 163.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.98 -7.21 0.29 Allowed Glycine 0 N--CA 1.473 1.158 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 83.2 m -47.94 -65.12 0.62 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 120.202 2.001 . . . . 0.0 111.949 171.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -67.76 -34.63 77.18 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.03 -1.043 . . . . 0.0 113.144 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -53.69 -55.82 22.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.608 1.163 . . . . 0.0 109.87 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.524 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.3 tptt -60.67 -44.95 95.86 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 124.912 1.285 . . . . 0.0 111.897 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.615 ' O ' HG22 ' B' ' 59' ' ' THR . 13.7 mptt -53.34 -52.4 59.33 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.157 1.344 . . . . 0.0 111.445 174.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.63 -27.55 40.94 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.963 -1.711 . . . . 0.0 114.48 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.6 p -77.28 -24.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.539 -0.726 . . . . 0.0 111.369 173.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.615 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.3 t -73.91 -34.36 64.35 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.719 -1.238 . . . . 0.0 112.418 172.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.52 -53.68 17.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.752 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -36.78 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.875 0.761 . . . . 0.0 112.666 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.02 -24.16 9.06 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.615 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -118.58 -25.79 6.35 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -67.26 -46.1 74.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.51 1.959 . . . . 0.0 112.695 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -73.49 -34.18 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.131 1.372 . . . . 0.0 112.331 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -94.25 -61.21 1.56 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -106.17 -41.22 5.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -157.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.512 1.525 . . . . 0.0 113.238 -171.744 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 111.095 0.035 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 5.8 ttp180 -137.65 143.08 41.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mmm -123.13 21.75 9.63 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 84.5 p 38.44 -89.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.654 2.782 . . . . 0.0 116.476 -173.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 92.38 3.35 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.818 1.645 . . . . 0.0 110.148 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.87 -35.57 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 0.0 111.141 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 1.75 55.86 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 125.263 1.411 . . . . 0.0 114.413 -175.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -137.51 -59.23 0.68 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.483 1.142 . . . . 0.0 110.028 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.81 42.4 23.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.413 1.485 . . . . 0.0 114.522 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -95.07 102.95 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.086 0.955 . . . . 0.0 113.506 -163.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.32 3.7 t 53.03 -69.15 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 129.204 3.001 . . . . 0.0 115.411 174.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.43 -24.2 64.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.58 1.152 . . . . 0.0 112.595 167.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -103.87 3.71 34.07 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.313 1.445 . . . . 0.0 112.347 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.77 -11.18 60.06 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.11 -30.58 0.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 120.261 1.391 . . . . 0.0 114.289 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.3 tptp -49.6 -68.37 0.18 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.499 1.52 . . . . 0.0 113.401 166.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.557 ' H ' HD22 ' A' ' 20' ' ' LEU . 1.9 mm? -68.18 -37.26 80.75 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 127.279 2.232 . . . . 0.0 109.561 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -50.91 -49.31 59.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 129.323 3.049 . . . . 0.0 111.075 167.791 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tt -72.0 -48.37 45.26 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -55.55 -38.94 69.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.305 1.842 . . . . 0.0 114.422 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.26 -28.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.113 1.324 . . . . 0.0 112.562 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.99 -27.58 57.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 pt . . . . . 0 CA--C 1.548 0.874 0 C-N-CA 124.848 1.259 . . . . 0.0 113.233 173.521 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.682 ' CE2' HD11 ' A' ' 34' ' ' LEU . 27.9 t80 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -38.15 -41.19 0.57 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.472 2.309 . . . . 0.0 115.833 -176.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.15 -28.73 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 111.929 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.2 -43.36 99.0 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.549 -1.344 . . . . 0.0 110.313 171.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.682 HD11 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mp -57.6 -50.34 73.45 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.146 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -46.18 -53.96 9.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.891 1.276 . . . . 0.0 111.638 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -67.71 -40.75 84.25 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 119.725 1.148 . . . . 0.0 112.656 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -39.12 81.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.571 1.176 . . . . 0.0 110.788 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -76.16 -51.06 12.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.02 2.128 . . . . 0.0 111.248 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 57' ' ' LEU . 2.2 pp -56.46 -41.61 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.269 0.941 . . . . 0.0 110.665 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -73.72 -27.66 61.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.225 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -65.59 -24.99 67.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.875 1.216 . . . . 0.0 111.475 172.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.18 -48.89 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.539 172.191 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -66.07 -45.92 79.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -123.62 -29.29 3.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.773 1.229 . . . . 0.0 113.101 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.92 -17.22 71.31 Favored Glycine 0 CA--C 1.54 1.652 0 O-C-N 121.177 -0.952 . . . . 0.0 113.606 168.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.315 75.6 p 54.88 41.13 32.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.14 2.176 . . . . 0.0 115.132 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.05 140.18 56.06 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.63 -0.669 . . . . 0.0 110.254 159.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -139.5 125.49 19.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 -174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.96 169.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.425 2.29 . . . . 0.0 109.303 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.11 -159.83 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.422 1.489 . . . . 0.0 112.269 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.77 -6.67 1.83 Allowed Glycine 0 N--CA 1.469 0.887 0 N-CA-C 117.424 1.73 . . . . 0.0 117.424 -171.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -49.49 -60.45 2.84 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.652 1.726 . . . . 0.0 111.11 170.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -69.56 -37.11 76.89 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.732 1.151 . . . . 0.0 113.154 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -49.89 -54.83 17.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.91 0.884 . . . . 0.0 110.244 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 58' ' ' VAL . 24.0 tptt -61.29 -44.38 97.31 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.449 1.5 . . . . 0.0 112.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.514 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -51.81 -53.65 37.71 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.931 1.696 . . . . 0.0 111.525 171.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD12 HG23 ' A' ' 39' ' ' ILE . 3.3 mm? -79.5 -23.77 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 119.84 -1.787 . . . . 0.0 113.609 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -84.57 -25.6 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 119.277 0.944 . . . . 0.0 112.802 170.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.0 t -70.95 -34.36 71.38 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.225 -1.547 . . . . 0.0 111.638 172.402 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.79 -57.02 4.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.387 1.075 . . . . 0.0 110.4 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CD2' ' HG3' ' A' ' 65' ' ' ARG 0.283 0.0 OUTLIER -76.06 -29.12 57.89 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.992 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.92 -23.27 52.69 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.673 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.494 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -108.0 -41.22 5.01 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 115.437 1.644 . . . . 0.0 115.437 169.095 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.0 -49.67 76.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 33.8 mmm-85 -68.71 -39.46 80.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 111.868 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -97.26 -57.1 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.104 2.161 . . . . 0.0 115.599 -168.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.93 -45.21 5.77 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 124.931 1.292 . . . . 0.0 113.229 -171.92 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 120.374 0.131 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 31.1 ttp180 -124.03 145.96 48.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 111.265 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 15.1 mmt -123.44 74.32 1.24 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.614 0.721 . . . . 0.0 109.298 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.554 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 14.0 m -47.61 118.79 2.4 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.067 -175.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.46 0.0 OUTLIER 32.47 72.11 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 129.844 3.258 . . . . 0.0 117.656 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ILE . . . . . 0.421 ' H ' HG13 ' B' ' 9' ' ' ILE . 1.3 mt -61.98 -32.55 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.899 2.079 . . . . 0.0 112.816 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.7 4.76 51.93 Favored Glycine 0 CA--C 1.545 1.946 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -168.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.19 -70.38 0.3 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.833 1.317 . . . . 0.0 112.496 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.21 43.75 10.62 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -123.77 135.19 53.67 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.35 3.2 t 49.15 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.859 3.263 . . . . 0.0 113.725 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -64.02 -30.33 71.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.365 1.066 . . . . 0.0 112.577 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -105.3 2.51 28.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.844 1.258 . . . . 0.0 112.977 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -64.22 -14.14 53.6 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.474 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.4 -28.59 0.9 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.711 1.596 . . . . 0.0 114.662 -174.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.1 tptp -51.73 -64.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.315 1.446 . . . . 0.0 113.401 166.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.587 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.8 mm? -69.78 -34.84 74.31 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.844 2.058 . . . . 0.0 110.177 -174.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.474 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -56.57 -45.32 81.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.31 3.044 . . . . 0.0 111.107 169.442 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.425 HD12 ' HD3' ' B' ' 5' ' ' ARG . 2.5 tm? -73.14 -44.49 60.07 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.321 -1.352 . . . . 0.0 107.836 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -59.86 -26.51 65.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.121 1.768 . . . . 0.0 115.215 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 pt -88.3 -28.77 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.732 1.151 . . . . 0.0 112.961 168.325 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.7 tp -69.25 -28.84 66.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.254 1.022 . . . . 0.0 112.465 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -86.13 -144.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.98 1.712 . . . . 0.0 112.149 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.67 18.58 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 128.51 2.724 . . . . 0.0 115.636 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.7 m80 68.35 152.81 0.09 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 129.259 3.024 . . . . 0.0 116.881 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . 0.273 12.5 pt-20 50.1 21.07 0.69 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 163.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.92 -31.85 71.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.396 -1.44 . . . . 0.0 114.754 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.51 -35.04 12.33 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 174.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.39 -32.22 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.795 0.838 . . . . 0.0 111.792 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.23 -43.86 92.33 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 120.899 -1.126 . . . . 0.0 110.433 173.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.03 -51.72 68.49 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 116.695 -1.621 . . . . 0.0 110.481 168.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.45 -53.74 10.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.489 1.495 . . . . 0.0 111.911 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.2 m -63.92 -50.04 70.25 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.163 0.892 . . . . 0.0 110.966 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -60.6 -34.17 73.83 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 121.106 -0.996 . . . . 0.0 111.093 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.54 -51.53 16.66 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 127.258 2.223 . . . . 0.0 111.814 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.64 -38.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 119.252 0.933 . . . . 0.0 111.268 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -73.15 -27.69 61.81 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.52 -33.4 73.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.154 1.343 . . . . 0.0 111.399 170.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.37 -51.9 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.487 -1.383 . . . . 0.0 109.986 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -167.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -118.3 -28.14 5.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.813 1.245 . . . . 0.0 113.098 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -16.13 75.12 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 119.773 1.169 . . . . 0.0 113.131 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.276 72.4 p 52.87 57.57 6.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.089 2.156 . . . . 0.0 113.795 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -49.22 142.99 6.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.548 1.139 . . . . 0.0 111.502 166.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -141.68 84.41 1.9 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.439 1.496 . . . . 0.0 110.551 -172.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.3 167.5 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.491 1.916 . . . . 0.0 109.935 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.54 -169.97 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.121 1.769 . . . . 0.0 112.037 167.306 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.7 -7.2 0.25 Allowed Glycine 0 N--CA 1.471 1.02 0 C-N-CA 126.364 1.935 . . . . 0.0 117.885 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 96.1 m -47.87 -64.04 0.9 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.285 2.043 . . . . 0.0 111.458 170.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -68.39 -32.51 72.63 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.819 -1.176 . . . . 0.0 113.048 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -56.93 -53.29 59.66 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.491 1.117 . . . . 0.0 110.598 170.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.0 tptt -61.97 -42.31 98.98 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 125.309 1.444 . . . . 0.0 112.388 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -59.11 -44.23 91.97 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.685 1.584 . . . . 0.0 111.412 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.35 -41.57 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.313 -1.492 . . . . 0.0 112.874 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.1 p -82.75 -26.53 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.634 0.774 . . . . 0.0 112.082 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.2 t -71.19 -35.01 71.43 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.007 -1.058 . . . . 0.0 112.326 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.69 -56.72 9.11 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.77 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.76 78.66 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 119.196 -0.431 . . . . 0.0 112.061 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.22 -24.37 18.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.453 0.701 . . . . 0.0 112.451 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 170.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.72 -48.85 70.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -73.45 -34.56 65.47 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.057 1.343 . . . . 0.0 112.224 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.61 -62.4 1.44 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.99 -40.39 8.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -160.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.289 1.435 . . . . 0.0 113.448 -173.153 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 120.54 0.209 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.611 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 47.7 ttp180 -139.27 143.77 38.08 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.655 1.582 . . . . 0.0 110.466 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -124.49 67.66 1.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.57 0.7 . . . . 0.0 110.562 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 72.9 m -73.66 106.31 5.36 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.743 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.85 143.35 50.88 Favored 'General case' 0 CA--C 1.534 0.329 1 C-N-CA 135.653 5.581 . . . . 0.0 106.507 -4.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.39 -35.68 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.747 -0.596 . . . . 0.0 112.083 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 1.94 59.73 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 124.819 1.2 . . . . 0.0 114.195 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -135.11 -60.27 0.77 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.688 1.244 . . . . 0.0 109.836 168.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.68 41.29 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.364 1.466 . . . . 0.0 114.597 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.54 99.86 12.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -161.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.33 6.0 t 53.29 -69.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 129.043 2.937 . . . . 0.0 115.897 171.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.37 -26.99 68.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.227 1.376 . . . . 0.0 112.172 163.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -100.0 5.17 45.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.738 1.615 . . . . 0.0 112.342 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.03 -9.58 47.0 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -45.51 -29.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 120.621 1.555 . . . . 0.0 114.263 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.6 tptt -47.99 -71.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.44 1.896 . . . . 0.0 113.149 164.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -68.05 -34.21 76.02 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.7 2.4 . . . . 0.0 110.052 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -55.04 -48.66 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 129.426 3.09 . . . . 0.0 111.099 168.947 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.87 -39.82 66.14 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 116.542 -2.063 . . . . 0.0 107.772 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.35 -25.24 67.95 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -88.65 -27.16 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.131 1.332 . . . . 0.0 112.765 167.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.1 -29.92 64.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.209 1.004 . . . . 0.0 112.706 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 pt . . . . . 0 N--CA 1.477 0.915 0 C-N-CA 124.95 1.3 . . . . 0.0 113.835 175.713 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.0 t80 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 116.316 1.969 . . . . 0.0 116.316 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.0 53.36 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.143 1.338 . . . . 0.0 112.989 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG21 HG21 ' B' ' 32' ' ' ILE . 7.6 mm -72.05 -33.02 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.277 -0.889 . . . . 0.0 113.343 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.1 -44.17 78.8 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.064 0.393 . . . . 0.0 110.747 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.98 -45.98 91.25 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.965 171.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.2 -54.66 32.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.583 1.992 . . . . 0.0 110.576 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -66.58 -38.62 87.45 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 118.787 0.721 . . . . 0.0 112.359 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -61.6 -43.4 98.92 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.381 1.086 . . . . 0.0 110.918 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.07 -54.9 14.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.513 2.325 . . . . 0.0 110.741 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.04 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.7 -28.0 63.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 119.112 -1.035 . . . . 0.0 113.617 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.6 -27.75 67.18 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.438 1.017 . . . . 0.0 110.931 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.57 -44.1 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.602 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.55 -49.01 65.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.689 1.196 . . . . 0.0 113.606 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -122.41 -31.83 3.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 113.233 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -18.01 62.67 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 170.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.8 m 56.56 47.11 19.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.708 2.003 . . . . 0.0 112.946 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.64 157.85 8.69 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.508 1.123 . . . . 0.0 113.35 170.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.19 110.08 5.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.042 0.937 . . . . 0.0 111.817 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.78 165.08 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.416 1.887 . . . . 0.0 110.141 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.62 -171.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.448 2.299 . . . . 0.0 113.807 164.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.72 -6.48 0.51 Allowed Glycine 0 N--CA 1.474 1.182 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -48.38 -62.19 1.62 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.006 1.903 . . . . 0.0 111.642 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -69.11 -36.22 77.3 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.454 1.024 . . . . 0.0 113.173 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -51.83 -54.46 28.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.211 1.004 . . . . 0.0 110.571 170.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -63.28 -44.02 96.25 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.331 1.452 . . . . 0.0 112.564 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' HG22 ' A' ' 59' ' ' THR . 12.7 mptt -53.41 -48.41 68.72 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.469 1.486 . . . . 0.0 111.289 169.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.21 -37.7 72.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.913 -1.742 . . . . 0.0 112.803 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.4 p -81.5 -27.38 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.232 0.613 . . . . 0.0 112.266 178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.4 t -71.83 -33.26 68.35 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.616 -1.303 . . . . 0.0 112.338 173.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.59 -57.22 5.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 0.0 109.64 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -37.45 77.36 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.28 -21.13 13.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.534 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.61 -35.13 5.31 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 168.062 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -63.58 -51.32 65.86 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.441 1.019 . . . . 0.0 113.478 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -71.22 -34.2 70.61 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.565 1.146 . . . . 0.0 112.517 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -87.62 -58.67 2.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.458 1.903 . . . . 0.0 115.7 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -107.53 -48.44 3.43 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -160.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.561 1.945 . . . . 0.0 112.533 -171.897 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 10.1 ttp180 -128.05 141.99 51.35 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.246 1.018 . . . . 0.0 112.646 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 68.6 mmm -124.75 66.05 1.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.445 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 30.1 m -51.17 114.75 1.28 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.973 0.892 . . . . 0.0 112.318 -172.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.446 ' O ' ' HE2' ' B' ' 56' ' ' LYS 0.303 3.3 mt 52.92 71.16 0.51 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 129.128 2.971 . . . . 0.0 114.267 177.311 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.62 -36.08 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 110.907 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.69 2.86 32.52 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 125.113 1.339 . . . . 0.0 115.452 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -140.97 -45.09 0.39 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.496 1.648 . . . . 0.0 112.154 166.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 45.75 51.35 10.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.2 2.2 . . . . 0.0 115.361 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -111.18 113.53 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -159.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.5 t 51.56 -72.09 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 129.238 3.015 . . . . 0.0 114.542 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.47 -29.12 69.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.803 1.241 . . . . 0.0 112.683 168.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -105.35 7.6 33.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.914 1.286 . . . . 0.0 112.582 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.8 -10.16 59.36 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.6 pm0 -43.74 -31.55 0.83 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.473 1.509 . . . . 0.0 114.248 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.53 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 1.2 tptt -49.76 -67.08 0.29 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.797 1.639 . . . . 0.0 112.921 166.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.511 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -70.71 -36.56 73.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 127.275 2.23 . . . . 0.0 109.941 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.415 ' O ' HD12 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -54.7 -52.96 60.78 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.834 1.254 . . . . 0.0 108.239 168.805 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.69 -46.27 69.48 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 -162.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -53.05 -43.66 66.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.891 2.476 . . . . 0.0 115.682 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -76.4 -26.86 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.935 1.698 . . . . 0.0 112.256 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.05 -30.51 44.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.885 0.874 . . . . 0.0 113.0 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 pt -79.3 -169.25 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.842 1.257 . . . . 0.0 113.441 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -52.71 -37.81 59.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.26 2.224 . . . . 0.0 114.915 -172.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.99 150.38 29.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.514 1.126 . . . . 0.0 112.987 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.03 80.3 0.93 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.314 1.846 . . . . 0.0 112.041 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -71.94 -27.76 63.01 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -160.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.62 48.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 120.214 1.37 . . . . 0.0 113.211 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 32' ' ' ILE . 2.0 mp -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 124.053 0.941 . . . . 0.0 111.99 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.16 -43.65 87.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.35 -0.844 . . . . 0.0 110.09 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.81 -51.04 71.7 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.04 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -49.03 -53.53 19.73 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 121.027 1.74 . . . . 0.0 112.047 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.4 t -68.6 -41.91 78.89 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.407 0.622 . . . . 0.0 111.703 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -40.68 94.04 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.057 0.932 . . . . 0.0 111.551 177.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.54 -55.38 7.94 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.931 2.492 . . . . 0.0 110.76 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.18 -41.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.623 -0.673 . . . . 0.0 111.31 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.09 -28.58 63.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.522 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.73 -24.96 64.52 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.77 1.168 . . . . 0.0 110.918 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.66 -44.31 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 120.767 -1.208 . . . . 0.0 110.548 172.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.78 -49.39 66.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.3 t -120.21 -30.64 4.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.708 1.203 . . . . 0.0 112.939 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -18.42 70.95 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 113.633 169.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.7 p 53.16 42.3 32.15 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.275 2.23 . . . . 0.0 115.125 177.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -57.81 146.03 33.0 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.748 162.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -141.94 127.03 18.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.089 0.956 . . . . 0.0 112.161 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -163.43 169.73 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 127.537 2.335 . . . . 0.0 108.99 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.23 -171.01 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.513 1.925 . . . . 0.0 113.65 162.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.09 -6.65 0.39 Allowed Glycine 0 N--CA 1.476 1.304 0 N-CA-C 117.798 1.879 . . . . 0.0 117.798 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.9 m -49.53 -64.7 0.73 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.762 1.781 . . . . 0.0 110.435 169.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -65.56 -41.24 93.19 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.234 1.379 . . . . 0.0 112.381 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -46.68 -54.88 8.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.451 1.101 . . . . 0.0 111.068 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.464 ' HA ' HG12 ' B' ' 58' ' ' VAL . 18.4 tptt -61.3 -42.06 98.03 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 116.84 -1.552 . . . . 0.0 112.894 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.463 ' O ' HG22 ' B' ' 59' ' ' THR . 1.1 mptm? -54.15 -52.46 61.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 121.129 1.786 . . . . 0.0 111.957 169.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.58 -35.91 75.8 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 119.913 -1.742 . . . . 0.0 112.222 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.8 p -82.67 -26.43 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 56' ' ' LYS . 4.2 t -68.93 -33.26 73.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.494 -1.379 . . . . 0.0 111.771 171.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.45 -54.75 13.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.359 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -38.8 85.23 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.521 0.601 . . . . 0.0 111.892 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -56.65 -19.67 17.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.552 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -113.92 -29.38 7.06 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -72.67 -45.31 59.56 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.598 1.999 . . . . 0.0 113.247 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -71.63 -32.7 68.25 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.909 1.283 . . . . 0.0 112.126 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.53 -62.94 1.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.898 2.185 . . . . 0.0 116.898 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -95.14 -42.42 8.59 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -160.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.669 2.388 . . . . 0.0 111.667 -175.556 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 10.4 ttp85 -68.09 149.72 49.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.353 1.461 . . . . 0.0 112.175 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.78 13.45 11.53 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.5 m 48.37 -96.0 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.796 2.038 . . . . 0.0 115.159 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -131.21 95.92 3.9 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 121.169 1.804 . . . . 0.0 110.463 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.99 -39.06 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.26 1.024 . . . . 0.0 110.778 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.31 33.04 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 125.818 1.675 . . . . 0.0 114.986 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.28 -59.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.11 1.364 . . . . 0.0 110.576 166.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.55 35.54 21.14 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.406 1.482 . . . . 0.0 114.063 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -57.08 164.46 1.65 Allowed 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.405 1.482 . . . . 0.0 111.479 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -33.74 -43.44 0.13 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 -175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.1 -29.85 49.22 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.108 -1.62 . . . . 0.0 113.883 175.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -94.24 6.15 49.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.861 2.865 . . . . 0.0 112.809 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.27 -10.36 59.68 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.333 1.453 . . . . 0.0 114.069 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.8 pm0 -44.69 -28.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.999 1.32 . . . . 0.0 114.125 -174.591 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 tptp -49.19 -70.58 0.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.143 1.777 . . . . 0.0 113.427 163.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -66.68 -37.28 84.42 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.644 2.378 . . . . 0.0 109.754 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -53.03 -47.76 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 129.78 3.232 . . . . 0.0 111.424 168.46 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.3 -41.81 56.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.981 -1.488 . . . . 0.0 107.89 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -58.16 -34.46 70.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.356 1.862 . . . . 0.0 114.679 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -84.17 -28.13 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.175 0.898 . . . . 0.0 113.316 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -71.78 -33.2 68.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.207 1.003 . . . . 0.0 112.562 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 124.658 1.183 . . . . 0.0 113.649 176.787 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.408 ' CE2' HD21 ' A' ' 34' ' ' LEU . 37.3 t80 . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.78 -43.68 1.47 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.506 1.522 . . . . 0.0 113.714 167.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.62 -39.42 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 123.681 0.792 . . . . 0.0 111.915 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.66 -40.95 76.4 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.276 172.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 30' ' ' TYR . 8.6 mt -59.03 -54.23 49.45 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.667 171.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 tp -49.06 -55.51 11.88 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.318 1.047 . . . . 0.0 111.583 -176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -66.48 -43.16 86.19 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.815 0.817 . . . . 0.0 112.107 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 t -60.16 -41.53 93.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.75 0.786 . . . . 0.0 110.594 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 57' ' ' LEU . 32.0 mm-40 -74.4 -49.83 20.97 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 125.771 1.628 . . . . 0.0 111.378 -171.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 57' ' ' LEU . 1.9 pp -57.59 -42.27 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.543 -0.723 . . . . 0.0 110.843 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.64 -27.1 62.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.273 -1.371 . . . . 0.0 113.31 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -69.82 -23.24 63.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.864 -1.147 . . . . 0.0 111.589 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.09 -46.85 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 120.303 -1.498 . . . . 0.0 110.35 171.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.51 -49.72 67.93 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.333 1.053 . . . . 0.0 113.502 -173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -115.51 -32.64 5.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.516 1.126 . . . . 0.0 112.771 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.9 -15.15 73.76 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 114.487 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 78.2 p 53.21 38.28 27.19 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.004 2.122 . . . . 0.0 115.163 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -75.38 0.06 18.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -49.28 131.36 20.02 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 127.881 2.473 . . . . 0.0 113.884 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 m -130.17 -158.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.478 1.911 . . . . 0.0 111.305 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -57.82 -176.66 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.583 1.953 . . . . 0.0 113.805 164.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.55 -10.76 1.55 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -46.72 -61.84 1.66 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.723 1.762 . . . . 0.0 110.983 166.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -70.41 -36.59 74.12 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.989 -1.069 . . . . 0.0 112.822 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -50.4 -54.69 20.01 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.039 0.936 . . . . 0.0 110.245 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -61.98 -44.53 96.54 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 125.235 1.414 . . . . 0.0 112.808 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.542 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -52.6 -52.19 56.38 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.78 1.627 . . . . 0.0 111.766 171.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 39' ' ' ILE . 2.9 mm? -81.28 -22.43 38.64 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.914 -1.741 . . . . 0.0 114.047 -173.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.8 p -83.18 -27.51 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 119.22 0.918 . . . . 0.0 111.877 169.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.1 t -72.01 -30.35 65.13 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.405 -1.434 . . . . 0.0 112.194 173.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.91 -56.94 4.8 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.951 0.501 . . . . 0.0 110.611 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -36.04 71.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.997 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.63 -24.39 21.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.44 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 -40.44 5.3 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 171.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.96 -52.57 55.53 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.05 -34.82 73.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 111.752 -174.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.46 -62.99 1.35 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.207 1.803 . . . . 0.0 115.76 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -103.84 -39.56 6.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -158.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.502 1.921 . . . . 0.0 112.484 -177.706 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 30.1 ttp180 -147.23 157.37 43.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.362 1.065 . . . . 0.0 112.52 178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 20.1 mmt -127.07 84.13 2.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.971 0.908 . . . . 0.0 110.472 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -34.12 -39.01 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 -177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 140.82 15.4 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 122.142 2.246 . . . . 0.0 113.706 141.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -103.13 -43.04 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.251 1.42 . . . . 0.0 112.294 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.66 4.28 36.97 Favored Glycine 0 CA--C 1.545 1.966 0 C-N-CA 124.16 0.886 . . . . 0.0 114.751 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.09 -64.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.663 1.232 . . . . 0.0 111.272 169.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.94 33.19 14.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 114.307 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.45 168.97 3.21 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.447 1.499 . . . . 0.0 111.588 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -37.11 -43.06 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -173.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.52 -31.95 53.78 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.274 -1.517 . . . . 0.0 114.008 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -93.17 6.99 46.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.364 . . . . 0.0 113.287 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.38 -10.09 52.71 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.724 1.61 . . . . 0.0 114.388 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.446 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -46.31 -27.98 1.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -175.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.3 OUTLIER -48.28 -69.1 0.13 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.564 1.945 . . . . 0.0 114.167 162.156 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.473 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -69.36 -36.19 76.6 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 127.688 2.395 . . . . 0.0 109.809 -173.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -50.24 -50.43 49.92 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.076 2.95 . . . . 0.0 111.372 167.184 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -73.85 -41.96 61.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 117.339 -1.744 . . . . 0.0 108.451 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.16 -23.08 67.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.322 1.849 . . . . 0.0 114.966 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.3 pt -92.13 -27.8 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 119.216 0.916 . . . . 0.0 113.238 167.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.47 -38.12 83.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.799 0.84 . . . . 0.0 111.481 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.2 -178.01 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.748 1.219 . . . . 0.0 113.862 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -63.27 -32.94 74.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 143.84 44.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.406 1.482 . . . . 0.0 113.419 -175.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -69.96 80.79 0.48 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.664 1.986 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.8 -27.38 61.1 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -158.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.76 50.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.461 1.028 . . . . 0.0 113.131 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.49 -39.33 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.985 1.314 . . . . 0.0 112.2 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -60.6 -41.5 94.87 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 121.344 -0.848 . . . . 0.0 110.846 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.75 -36.88 85.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.08 -1.438 . . . . 0.0 111.836 171.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.68 -56.19 25.15 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 120.643 1.565 . . . . 0.0 111.044 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -63.62 -37.21 86.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.67 1.123 . . . . 0.0 112.027 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -62.66 -45.79 91.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.672 0.748 . . . . 0.0 110.442 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.75 -50.63 48.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.892 1.677 . . . . 0.0 111.657 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -56.96 -41.8 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.473 -0.767 . . . . 0.0 111.308 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.16 -26.13 62.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.421 -1.312 . . . . 0.0 113.676 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.38 -31.49 71.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.372 0.987 . . . . 0.0 111.898 170.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.406 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.9 mp -80.55 -54.02 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.629 -1.294 . . . . 0.0 110.631 169.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.89 -39.42 94.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.747 1.219 . . . . 0.0 113.495 -166.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.9 t -126.87 -30.56 2.73 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.636 1.174 . . . . 0.0 113.624 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 -19.44 74.85 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.418 1.008 . . . . 0.0 113.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.267 73.6 p 49.48 49.09 20.45 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.502 1.921 . . . . 0.0 113.376 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -33.88 -61.16 0.36 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.962 2.505 . . . . 0.0 114.478 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 53.56 78.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.668 2.787 . . . . 0.0 113.318 168.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' VAL . . . . . 0.463 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -140.09 158.67 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.337 1.855 . . . . 0.0 110.513 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -74.96 64.17 1.29 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.103 2.561 . . . . 0.0 115.299 -165.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.39 -10.99 64.68 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.798 2.618 . . . . 0.0 115.038 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -59.6 -60.79 3.28 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.609 1.705 . . . . 0.0 109.963 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' THR . . . . . 0.463 ' H ' HG13 ' B' ' 49' ' ' VAL . 4.7 t -66.64 -32.9 74.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -55.81 -54.27 46.57 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.666 1.186 . . . . 0.0 110.239 170.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.476 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.6 tptt -60.99 -42.08 97.72 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.375 1.47 . . . . 0.0 112.44 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -58.43 -43.35 88.68 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 120.638 1.563 . . . . 0.0 112.125 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.68 -43.89 71.59 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.076 -1.64 . . . . 0.0 112.712 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.5 p -79.19 -26.51 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 122.771 0.429 . . . . 0.0 111.742 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -69.96 -37.76 75.91 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.729 -1.232 . . . . 0.0 111.758 172.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.84 -57.53 5.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.439 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.76 99.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.247 0.619 . . . . 0.0 112.509 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.35 -24.55 60.14 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.607 1.163 . . . . 0.0 112.573 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -115.97 -21.92 9.27 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -58.8 -53.76 54.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.614 1.552 . . . . 0.0 111.99 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -81.07 -39.8 25.16 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.529 1.157 . . . . 0.0 112.777 -171.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -74.42 -60.85 2.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.499 -2.137 . . . . 0.0 115.529 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -108.8 -44.96 3.91 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -158.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.945 2.098 . . . . 0.0 112.032 -174.239 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.7 mtm . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.558 0.218 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 19.1 ttp180 -140.67 139.7 34.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.447 1.099 . . . . 0.0 111.118 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.4 mmt -126.48 71.75 1.3 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.98 0.895 . . . . 0.0 108.827 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 27.9 m -54.93 114.68 1.83 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.091 -172.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.294 4.1 mt 54.52 69.15 0.75 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.289 3.036 . . . . 0.0 114.722 175.102 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.98 -29.25 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.424 1.489 . . . . 0.0 111.28 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.61 7.78 61.41 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 125.199 1.381 . . . . 0.0 114.206 -171.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -138.15 -64.22 0.54 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.572 1.549 . . . . 0.0 110.887 166.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.17 35.08 18.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.461 1.504 . . . . 0.0 114.158 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -60.8 168.03 2.5 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.681 1.592 . . . . 0.0 111.99 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -38.68 -41.49 0.71 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -172.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.31 -33.27 49.4 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.32 -1.487 . . . . 0.0 113.596 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.71 9.51 29.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.955 2.502 . . . . 0.0 113.04 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -73.23 -9.93 59.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.422 1.489 . . . . 0.0 114.631 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.71 -31.29 0.45 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.885 1.674 . . . . 0.0 114.11 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tptt -48.12 -70.53 0.09 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.458 1.903 . . . . 0.0 113.074 164.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -69.1 -35.14 76.13 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 127.373 2.269 . . . . 0.0 109.782 -173.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.54 -52.57 63.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.034 1.334 . . . . 0.0 108.524 169.085 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.67 -41.72 75.12 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 116.483 -2.087 . . . . 0.0 106.244 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -57.92 -36.64 72.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.274 2.23 . . . . 0.0 115.471 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.4 pt -80.32 -26.33 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.718 1.599 . . . . 0.0 112.656 171.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.32 -31.5 60.63 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.412 1.085 . . . . 0.0 112.498 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.258 1.423 . . . . 0.0 113.397 174.958 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.71 -37.3 63.15 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.599 -1.313 . . . . 0.0 112.573 174.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 HG21 ' B' ' 32' ' ' ILE . 2.0 mp -69.82 -38.03 74.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 O-C-N 121.371 -0.831 . . . . 0.0 111.931 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -55.22 -43.52 74.59 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.145 -0.972 . . . . 0.0 110.394 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -54.95 40.53 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 116.295 -1.812 . . . . 0.0 110.558 170.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 tp -46.25 -52.95 11.56 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.611 1.55 . . . . 0.0 111.67 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -68.95 -44.22 73.42 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.715 0.769 . . . . 0.0 112.442 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 t -58.27 -41.76 85.03 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.483 1.135 . . . . 0.0 111.146 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HB3' HD11 ' A' ' 57' ' ' LEU . 15.7 mm-40 -75.15 -51.86 12.38 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.658 1.983 . . . . 0.0 110.186 -170.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.488 HG23 HD12 ' A' ' 57' ' ' LEU . 2.0 pp -57.87 -42.34 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.324 -0.86 . . . . 0.0 111.395 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.45 -27.06 63.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.973 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.45 -25.63 65.09 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.728 1.149 . . . . 0.0 111.726 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.89 -48.71 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.658 -1.276 . . . . 0.0 110.026 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.54 -45.63 65.13 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -116.08 -31.68 5.62 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.402 1.081 . . . . 0.0 112.986 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.68 -16.34 71.94 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 113.452 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m 59.37 37.09 23.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.522 1.929 . . . . 0.0 113.929 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -66.88 138.22 57.15 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.097 -1.002 . . . . 0.0 110.191 161.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -164.16 130.55 3.08 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.76 1.224 . . . . 0.0 109.95 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.6 m -136.71 -157.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.551 1.54 . . . . 0.0 109.853 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -49.91 178.72 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.044 1.338 . . . . 0.0 114.213 156.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.31 -6.55 0.99 Allowed Glycine 0 N--CA 1.474 1.2 0 O-C-N 120.17 -1.581 . . . . 0.0 116.888 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 m -48.35 -61.69 1.87 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.52 2.16 . . . . 0.0 111.597 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -66.72 -39.47 88.01 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.47 1.032 . . . . 0.0 112.738 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -51.4 -55.12 20.34 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.657 1.183 . . . . 0.0 110.802 170.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.497 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -61.66 -44.08 97.65 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 125.435 1.494 . . . . 0.0 112.386 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER -51.21 -52.29 45.86 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.781 1.628 . . . . 0.0 112.374 169.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 39' ' ' ILE . 3.2 mm? -80.33 -26.39 38.79 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 119.79 -1.819 . . . . 0.0 113.989 -173.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -80.01 -26.98 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.938 0.79 . . . . 0.0 111.915 171.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.7 t -72.83 -32.62 65.61 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.301 -1.5 . . . . 0.0 112.604 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.78 -58.7 3.28 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.529 0.732 . . . . 0.0 109.095 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -38.47 81.5 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.009 176.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.51 -18.78 12.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -120.88 -21.67 6.5 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 160.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.25 -50.75 51.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 121.686 2.039 . . . . 0.0 112.879 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -67.23 -32.79 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.907 1.283 . . . . 0.0 112.103 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -90.62 -60.16 1.99 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.539 1.936 . . . . 0.0 115.905 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -113.74 -41.49 3.58 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -159.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.142 2.177 . . . . 0.0 112.114 -176.294 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -126.55 151.88 47.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.734 2.014 . . . . 0.0 110.824 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.2 mmt -121.32 10.1 10.51 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.509 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 55.4 m 50.23 -90.4 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.012 2.125 . . . . 0.0 115.095 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.31 94.24 3.63 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 121.032 1.742 . . . . 0.0 110.283 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mt -76.66 -41.76 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.729 0.812 . . . . 0.0 110.124 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.51 -0.15 29.31 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.478 1.513 . . . . 0.0 113.973 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -133.0 -75.8 0.49 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.172 1.389 . . . . 0.0 109.58 171.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 37.33 26.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.22 166.33 19.68 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.011 -1.056 . . . . 0.0 112.709 168.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -18.32 -53.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 119.576 3.176 . . . . 0.0 119.576 -161.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -76.24 -26.91 56.5 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 120.926 1.694 . . . . 0.0 113.555 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -103.23 -5.11 23.46 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.957 2.903 . . . . 0.0 112.394 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.88 -10.93 4.5 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -44.15 -30.57 0.79 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.906 1.684 . . . . 0.0 114.415 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -48.59 -67.38 0.27 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.011 1.724 . . . . 0.0 112.746 164.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.485 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -70.01 -36.79 75.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.345 2.258 . . . . 0.0 109.78 -173.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -50.59 68.13 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.036 1.334 . . . . 0.0 108.288 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.408 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.5 tm? -69.97 -44.79 68.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -165.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -56.54 -37.96 71.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.246 2.619 . . . . 0.0 115.581 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.83 -27.64 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.591 1.087 . . . . 0.0 112.416 172.227 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -78.31 -30.01 48.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.198 0.999 . . . . 0.0 112.905 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.2 pt -79.3 -173.7 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.39 1.476 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -61.84 -28.52 69.55 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -172.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -145.79 144.93 30.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.993 0.917 . . . . 0.0 113.014 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.28 82.44 0.75 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.5 1.92 . . . . 0.0 111.867 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' TYR . . . . . 0.74 ' CE2' HD11 ' B' ' 34' ' ' LEU . 31.3 t80 -72.15 -42.1 66.35 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -158.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.634 ' HA ' HD13 ' B' ' 34' ' ' LEU . . . -40.96 -39.79 1.25 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.339 1.856 . . . . 0.0 116.003 -173.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.408 HG21 HG21 ' A' ' 32' ' ' ILE . 1.9 mp -66.5 -35.73 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.523 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -57.88 -41.35 82.34 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.262 -0.899 . . . . 0.0 110.77 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.74 HD11 ' CE2' ' B' ' 30' ' ' TYR . 4.4 mp -64.21 -43.13 95.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.407 171.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.75 -56.83 13.98 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.379 1.445 . . . . 0.0 110.638 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -64.4 -37.74 88.58 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 118.555 0.616 . . . . 0.0 111.846 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.8 t -60.9 -45.74 93.42 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.368 1.08 . . . . 0.0 111.116 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.38 -54.56 23.01 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.702 2.001 . . . . 0.0 111.008 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -42.21 79.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.58 -25.43 60.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -65.61 -30.27 70.96 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.379 0.99 . . . . 0.0 110.534 172.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.29 -44.85 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.297 -0.877 . . . . 0.0 110.879 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.734 1.213 . . . . 0.0 113.614 -174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.2 t -124.04 -28.0 3.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.54 1.136 . . . . 0.0 113.523 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -12.36 59.03 Favored Glycine 0 CA--C 1.541 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 114.06 166.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.285 46.5 p 51.53 45.05 28.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.231 2.212 . . . . 0.0 114.354 173.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 155.78 5.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.425 1.09 . . . . 0.0 113.635 169.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -140.79 110.09 6.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.329 1.052 . . . . 0.0 110.762 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -161.67 164.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.107 1.763 . . . . 0.0 110.398 173.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.76 -168.7 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.51 1.924 . . . . 0.0 112.227 167.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.94 -7.24 0.16 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 126.791 2.139 . . . . 0.0 118.177 -176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -47.06 -65.41 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.633 1.717 . . . . 0.0 111.524 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t -69.33 -35.83 76.31 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.155 -0.965 . . . . 0.0 113.109 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -49.98 -55.14 15.81 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.3 1.04 . . . . 0.0 109.92 170.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.49 ' HA ' HG12 ' B' ' 58' ' ' VAL . 19.9 tptt -62.81 -46.73 86.6 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 117.178 -1.392 . . . . 0.0 112.564 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.552 ' O ' HG22 ' B' ' 59' ' ' THR . 12.9 mptt -52.53 -49.89 63.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.764 1.62 . . . . 0.0 111.932 173.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.34 -24.05 32.25 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 119.967 -1.708 . . . . 0.0 114.798 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.6 p -81.67 -26.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.457 -0.777 . . . . 0.0 111.671 170.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.1 t -70.1 -36.34 74.79 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.699 -1.25 . . . . 0.0 111.019 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.68 -57.8 3.95 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.852 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -44.0 97.39 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.114 0.965 . . . . 0.0 112.708 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.74 -19.79 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.952 1.301 . . . . 0.0 112.701 -174.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.95 -32.19 4.85 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 168.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -52.77 -56.49 15.28 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.697 1.135 . . . . 0.0 112.125 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -83.3 -40.89 18.92 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.79 1.281 . . . . 0.0 113.12 -166.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.45 -55.32 12.24 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 112.242 -2.254 . . . . 0.0 114.969 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.16 -47.64 3.18 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -160.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.818 2.047 . . . . 0.0 112.712 -172.577 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.489 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 17.9 ttp180 -128.87 151.72 49.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.27 1.828 . . . . 0.0 111.283 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.82 8.89 10.58 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.539 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.275 70.4 m 49.13 -83.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.525 2.33 . . . . 0.0 115.963 -176.586 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.61 91.18 2.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 122.058 2.208 . . . . 0.0 113.325 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.36 -30.04 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.091 1.756 . . . . 0.0 111.11 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 0.59 73.45 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 115.301 0.88 . . . . 0.0 115.301 -172.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.44 -58.54 0.83 Allowed 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.04 1.42 . . . . 0.0 110.438 170.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.87 42.04 27.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.551 1.54 . . . . 0.0 113.955 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.85 98.38 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 125.466 1.507 . . . . 0.0 113.489 -159.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.307 3.7 t 52.68 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 128.565 2.746 . . . . 0.0 115.204 173.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.68 -27.87 68.67 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.54 -1.35 . . . . 0.0 112.746 165.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -100.8 8.35 43.26 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.358 1.063 . . . . 0.0 112.079 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -67.49 -10.35 50.82 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.738 1.215 . . . . 0.0 114.143 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.55 -28.52 0.59 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.8 tptp -50.87 -67.36 0.26 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.459 1.503 . . . . 0.0 113.217 165.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.06 -36.84 78.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.879 2.472 . . . . 0.0 109.584 -173.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -52.37 -46.49 66.21 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 129.274 3.029 . . . . 0.0 111.567 166.856 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.8 -42.97 63.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.606 1.194 . . . . 0.0 108.524 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -64.32 -15.36 60.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.048 2.139 . . . . 0.0 115.701 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -99.65 -26.62 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.402 1.001 . . . . 0.0 113.52 164.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 tp -71.41 -31.61 67.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.978 1.311 . . . . 0.0 112.767 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 124.545 1.138 . . . . 0.0 113.352 175.852 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 CA--C 1.552 1.024 0 CA-C-O 118.121 -0.943 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 51.11 -40.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.225 3.01 . . . . 0.0 117.176 -154.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mm -71.85 -28.39 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -170.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.33 -39.72 80.2 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.435 -0.791 . . . . 0.0 109.903 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.95 -47.77 76.46 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.799 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -55.13 23.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.586 1.155 . . . . 0.0 111.522 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -65.33 -41.16 94.23 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.785 0.802 . . . . 0.0 112.358 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t -61.68 -43.74 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.38 0.61 . . . . 0.0 110.602 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.84 -55.94 16.47 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.021 1.728 . . . . 0.0 110.87 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.41 -43.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.063 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.53 -27.77 62.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.87 -24.75 64.38 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.527 1.058 . . . . 0.0 110.744 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.44 -47.9 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.049 -1.032 . . . . 0.0 110.479 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.19 -47.0 81.48 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -172.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 t -122.17 -31.97 3.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.858 1.263 . . . . 0.0 113.296 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.18 68.67 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 121.004 -1.06 . . . . 0.0 113.802 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m 57.15 43.32 24.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 0.0 114.002 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 150.13 33.43 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.349 -0.844 . . . . 0.0 110.81 160.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -146.39 127.4 14.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.417 1.087 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.5 168.44 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.752 2.021 . . . . 0.0 109.622 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -63.53 -168.7 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.993 1.717 . . . . 0.0 111.791 165.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.5 0.2 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 118.32 2.088 . . . . 0.0 118.32 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -48.06 -63.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 120.034 1.917 . . . . 0.0 111.776 171.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -69.26 -35.6 76.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.887 -1.133 . . . . 0.0 113.404 -175.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -50.75 -55.89 14.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.156 0.982 . . . . 0.0 109.841 169.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HA ' HG12 ' A' ' 58' ' ' VAL . 25.7 tptt -61.53 -45.93 92.1 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 125.043 1.337 . . . . 0.0 112.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.55 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -53.84 -51.52 63.32 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.263 1.392 . . . . 0.0 111.333 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.91 -27.53 39.93 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.725 -1.859 . . . . 0.0 114.135 -173.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.8 p -76.18 -28.34 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.548 -0.72 . . . . 0.0 111.686 172.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.6 t -72.31 -33.94 67.75 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.538 -1.351 . . . . 0.0 112.33 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.5 -55.35 16.4 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.179 0.592 . . . . 0.0 110.108 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -36.19 75.84 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.31 -21.67 15.77 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.518 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.439 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -110.19 -39.94 4.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 168.067 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.73 -47.02 85.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -76.41 -35.52 58.53 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.923 1.289 . . . . 0.0 112.635 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -89.7 -57.6 2.81 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.57 -46.01 4.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.927 1.291 . . . . 0.0 113.326 -170.463 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 29.1 ttp-105 -81.89 150.19 27.88 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.156 1.382 . . . . 0.0 112.72 -172.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.7 mmt -126.81 78.32 1.79 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.344 0.592 . . . . 0.0 110.6 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.465 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 57.9 m -51.41 113.76 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.742 0.782 . . . . 0.0 112.112 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.269 2.0 mt 49.91 72.29 0.33 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 129.841 3.257 . . . . 0.0 115.456 174.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -65.69 -32.24 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.799 1.24 . . . . 0.0 111.261 168.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.41 57.37 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.923 1.249 . . . . 0.0 114.159 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -138.49 -63.36 0.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.572 1.549 . . . . 0.0 110.462 169.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.0 39.5 7.8 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.351 1.86 . . . . 0.0 113.887 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -61.81 169.09 2.68 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.541 1.536 . . . . 0.0 111.7 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -36.88 -44.86 0.52 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.55 -34.05 58.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.287 -1.508 . . . . 0.0 113.41 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -91.47 10.37 28.0 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.609 2.364 . . . . 0.0 112.481 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.14 -8.63 54.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.78 1.632 . . . . 0.0 113.75 -177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -45.37 -29.03 0.96 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.977 1.262 . . . . 0.0 114.027 -176.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 6.7 tptp -48.34 -69.9 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.034 1.733 . . . . 0.0 113.341 163.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.99 -35.22 76.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 127.388 2.275 . . . . 0.0 110.108 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -54.0 -46.76 71.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.335 3.054 . . . . 0.0 111.143 168.416 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.84 -45.05 60.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 118.349 -1.34 . . . . 0.0 107.823 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -59.86 -31.09 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.333 1.853 . . . . 0.0 114.658 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.19 -28.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 171.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.68 -37.15 79.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.056 0.942 . . . . 0.0 111.692 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.7 pt -78.15 -177.79 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.633 1.173 . . . . 0.0 114.028 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -64.22 -26.45 68.51 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -141.54 140.71 33.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.942 1.297 . . . . 0.0 112.161 -177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.44 74.03 1.02 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.374 1.87 . . . . 0.0 112.151 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' TYR . . . . . 0.478 ' CZ ' HD21 ' B' ' 34' ' ' LEU . 21.3 t80 -63.34 -36.47 83.8 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -160.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.65 -44.12 8.78 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.16 1.384 . . . . 0.0 113.824 172.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.01 -39.71 86.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.54 0.736 . . . . 0.0 111.672 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -57.12 -40.45 77.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.523 -0.735 . . . . 0.0 110.614 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.478 HD21 ' CZ ' ' B' ' 30' ' ' TYR . 7.5 mt -62.32 -46.65 87.76 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 117.37 -1.3 . . . . 0.0 110.383 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.03 -54.95 27.75 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.195 1.361 . . . . 0.0 111.694 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t -68.29 -38.81 82.03 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.968 0.89 . . . . 0.0 111.495 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.25 -42.33 98.44 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.859 0.837 . . . . 0.0 110.964 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.88 -55.29 13.44 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.922 2.089 . . . . 0.0 110.695 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.92 -40.83 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 121.894 -0.504 . . . . 0.0 111.438 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.05 -26.71 62.3 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 118.805 -1.158 . . . . 0.0 113.568 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.63 -33.58 75.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.568 1.076 . . . . 0.0 111.507 171.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.32 -49.89 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 120.383 -1.448 . . . . 0.0 110.279 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.25 -43.5 81.73 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -126.62 -25.54 3.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 113.586 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.77 74.29 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 119.598 1.09 . . . . 0.0 112.99 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 58.03 45.82 17.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.469 1.908 . . . . 0.0 113.123 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -58.98 143.95 46.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.297 1.039 . . . . 0.0 110.598 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -147.06 118.98 8.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.528 1.131 . . . . 0.0 111.417 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -165.4 172.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.442 2.297 . . . . 0.0 108.823 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.02 -169.8 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.245 1.818 . . . . 0.0 113.196 161.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.59 -6.41 0.47 Allowed Glycine 0 N--CA 1.473 1.152 0 N-CA-C 117.56 1.784 . . . . 0.0 117.56 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -47.71 -64.02 0.9 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.298 2.049 . . . . 0.0 111.704 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -65.99 -37.1 85.08 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.742 -1.224 . . . . 0.0 113.197 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -52.26 -56.32 15.54 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.7 tptt -61.83 -44.85 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.506 1.522 . . . . 0.0 112.736 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.431 ' O ' HG22 ' B' ' 59' ' ' THR . 1.3 mptm? -54.17 -46.66 72.38 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.926 1.694 . . . . 0.0 112.313 172.13 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.265 1.2 pp -83.42 -24.6 31.84 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.067 -1.645 . . . . 0.0 114.94 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.6 p -84.03 -27.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.501 -0.75 . . . . 0.0 112.1 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.431 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.2 t -68.3 -36.27 79.07 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.546 -1.346 . . . . 0.0 110.813 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -60.72 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.451 172.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.56 99.02 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.299 1.039 . . . . 0.0 112.004 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.16 -22.14 64.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.998 1.319 . . . . 0.0 113.316 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -111.19 -31.16 7.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 160.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.883 1.674 . . . . 0.0 112.281 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -39.67 16.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.787 1.28 . . . . 0.0 113.204 -170.257 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -69.48 -56.14 8.24 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.172 -2.285 . . . . 0.0 115.391 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -114.03 -48.61 2.89 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -157.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.257 9.5 p30 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.462 1.505 . . . . 0.0 114.027 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.55 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 32.8 ttp180 -136.35 144.43 44.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.317 1.047 . . . . 0.0 111.671 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.4 mmt -125.89 68.1 1.18 Allowed 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.756 0.66 . . . . 0.0 110.196 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 104.11 5.42 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.501 -0.762 . . . . 0.0 109.386 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -131.45 143.56 50.52 Favored 'General case' 0 CA--C 1.534 0.345 1 C-N-CA 135.378 5.471 . . . . 0.0 106.631 -3.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.76 -32.38 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.857 -0.527 . . . . 0.0 111.907 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.08 10.89 57.0 Favored Glycine 0 CA--C 1.546 1.986 0 C-N-CA 124.539 1.066 . . . . 0.0 114.131 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.81 -70.38 0.35 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.866 1.666 . . . . 0.0 111.108 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.16 55.87 7.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.54 2.336 . . . . 0.0 115.253 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' HB3' ' HE ' ' A' ' 63' ' ' ARG . 21.1 p90 -128.77 159.61 35.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 15' ' ' GLU 0.312 8.9 t 21.96 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 128.742 2.817 . . . . 0.0 117.185 -157.623 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' H ' HG23 ' A' ' 14' ' ' THR . 45.3 mt-10 -68.7 -17.78 64.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.247 1.419 . . . . 0.0 113.095 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -112.17 1.21 16.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.353 2.261 . . . . 0.0 112.031 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.85 -15.45 61.87 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -43.91 -28.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.662 1.585 . . . . 0.0 114.408 -176.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.5 tptt -47.7 -71.8 0.06 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.417 1.487 . . . . 0.0 111.933 164.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.656 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.6 mm? -69.29 -36.0 76.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.859 1.663 . . . . 0.0 110.42 -174.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -51.05 68.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.52 -43.36 69.79 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 116.262 -2.175 . . . . 0.0 105.743 -165.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -54.65 -44.2 73.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.332 2.253 . . . . 0.0 115.597 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -76.2 -25.78 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.934 1.697 . . . . 0.0 112.079 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.69 -30.32 41.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.685 0.794 . . . . 0.0 112.744 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 124.823 1.249 . . . . 0.0 112.856 171.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.74 -40.43 54.59 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.106 1.321 . . . . 0.0 112.722 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 HG21 ' B' ' 32' ' ' ILE . 3.6 mm -67.9 -30.54 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.77 -43.9 90.51 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.462 -0.774 . . . . 0.0 110.797 171.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.21 -39.67 95.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.832 172.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -52.54 64.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.696 1.589 . . . . 0.0 111.043 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 t -67.31 -37.1 82.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 122.074 0.94 . . . . 0.0 112.216 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -62.91 -44.47 96.01 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 121.713 0.768 . . . . 0.0 110.811 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.49 -52.05 50.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.592 1.957 . . . . 0.0 110.725 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG21 HG21 ' B' ' 39' ' ' ILE . 2.2 pp -59.85 -40.69 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 121.85 -0.532 . . . . 0.0 111.437 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.69 -25.45 62.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.364 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -61.8 -32.1 72.37 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.738 1.154 . . . . 0.0 112.146 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 42' ' ' ILE . 2.6 mp -77.32 -53.42 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 121.221 -0.925 . . . . 0.0 110.616 170.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -41.22 86.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -166.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.2 t -126.21 -28.91 3.07 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.605 1.162 . . . . 0.0 113.54 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.94 -15.7 69.62 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-N 119.417 1.008 . . . . 0.0 113.592 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.3 p 50.07 55.3 9.65 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.274 1.829 . . . . 0.0 112.189 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -32.44 -56.87 0.34 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 128.196 2.598 . . . . 0.0 116.246 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 52.22 68.15 0.86 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.185 2.194 . . . . 0.0 112.928 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 162.72 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.649 1.98 . . . . 0.0 109.818 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -64.3 -172.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 112.093 170.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.01 -6.39 0.13 Allowed Glycine 0 N--CA 1.473 1.105 0 N-CA-C 118.596 2.199 . . . . 0.0 118.596 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.6 m -45.4 -67.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.703 1.752 . . . . 0.0 111.872 168.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -70.72 -32.12 69.22 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.319 -0.863 . . . . 0.0 112.548 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -53.95 -55.41 27.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.417 1.087 . . . . 0.0 110.507 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.2 tptt -62.89 -44.49 95.97 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.207 1.403 . . . . 0.0 111.96 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 59' ' ' THR . 12.8 mptt -53.12 -48.38 67.91 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.91 1.232 . . . . 0.0 111.399 170.401 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.3 -40.19 74.41 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 119.801 -1.812 . . . . 0.0 112.976 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.6 p -80.46 -26.84 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 122.891 0.477 . . . . 0.0 111.964 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.9 t -70.99 -33.24 70.23 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.693 -1.254 . . . . 0.0 112.117 172.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 56' ' ' LYS . 1.4 mm? -50.4 -55.22 16.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.583 0.753 . . . . 0.0 109.98 176.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.1 84.71 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.257 -0.402 . . . . 0.0 112.041 174.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.38 -19.96 17.15 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.491 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' A' ' 13' ' ' PHE . 71.5 mmt-85 -119.41 -23.34 6.7 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 165.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -68.85 -49.42 58.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.81 2.095 . . . . 0.0 112.85 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -69.82 -33.86 72.89 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.041 1.336 . . . . 0.0 112.171 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -93.55 -62.15 1.42 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -107.16 -41.66 5.08 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -156.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.367 2.267 . . . . 0.0 111.968 -176.266 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.591 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 40.7 ttp180 -55.58 145.25 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.757 1.623 . . . . 0.0 112.821 -174.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 18.7 mmt -123.37 74.93 1.28 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-O 121.714 0.768 . . . . 0.0 110.547 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 65.9 m -79.38 102.9 8.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.47 140.15 46.01 Favored 'General case' 0 CA--C 1.536 0.423 1 C-N-CA 136.194 5.798 . . . . 0.0 106.558 -0.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -89.12 -32.89 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.601 0.637 . . . . 0.0 112.37 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 8.84 58.82 Favored Glycine 0 CA--C 1.543 1.788 0 C-N-CA 123.981 0.8 . . . . 0.0 114.071 -171.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -139.82 -65.54 0.47 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.669 1.588 . . . . 0.0 109.861 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 39.64 19.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.176 1.791 . . . . 0.0 113.487 -177.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -61.52 169.08 2.48 Favored 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 125.606 1.562 . . . . 0.0 112.263 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -39.02 -43.14 0.96 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -77.82 -31.28 51.58 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.273 -1.517 . . . . 0.0 113.696 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -93.55 10.33 33.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.722 2.409 . . . . 0.0 112.738 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.17 -11.17 60.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.073 1.349 . . . . 0.0 113.947 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -44.6 -27.82 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.819 1.247 . . . . 0.0 114.26 -176.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.591 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 2.5 tptt -47.91 -69.42 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.868 1.667 . . . . 0.0 113.049 163.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.495 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.06 -34.16 75.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.805 2.442 . . . . 0.0 109.947 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -62.2 -43.18 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 128.472 2.709 . . . . 0.0 110.982 173.637 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.56 -41.1 61.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.909 -1.516 . . . . 0.0 107.389 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -59.59 -33.45 71.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.344 1.458 . . . . 0.0 114.817 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 pt -82.29 -28.2 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.791 1.632 . . . . 0.0 112.871 169.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -73.06 -31.12 64.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.6 pt -80.81 -172.09 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.676 1.19 . . . . 0.0 113.909 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -47.44 -43.72 24.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.737 2.415 . . . . 0.0 114.79 -172.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -152.52 160.51 43.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.081 1.353 . . . . 0.0 111.747 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.37 139.62 57.57 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.562 1.145 . . . . 0.0 111.798 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -131.16 -31.3 1.68 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -162.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.52 39.24 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.25 1.387 . . . . 0.0 112.705 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.451 HG21 HG21 ' A' ' 32' ' ' ILE . 1.8 mp -60.36 -39.07 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.94 1.296 . . . . 0.0 112.007 178.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -60.0 -42.68 94.81 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.444 -0.785 . . . . 0.0 110.52 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.75 -43.97 97.28 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.235 171.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -55.9 -53.9 51.23 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.347 1.43 . . . . 0.0 111.703 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -67.53 -38.52 84.34 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.835 0.826 . . . . 0.0 111.639 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.0 -44.03 98.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.841 0.829 . . . . 0.0 110.584 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.75 -51.41 34.32 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.632 1.573 . . . . 0.0 111.715 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 39' ' ' ILE . 2.2 pp -59.13 -40.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.494 -0.754 . . . . 0.0 111.324 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.63 -26.82 62.72 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.844 -1.142 . . . . 0.0 113.344 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -66.35 -24.33 66.49 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.09 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.21 -52.48 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 120.77 -1.206 . . . . 0.0 110.701 167.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.3 -40.49 90.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -122.7 -30.16 3.91 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.649 1.179 . . . . 0.0 113.488 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.24 -25.99 74.99 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 119.812 1.187 . . . . 0.0 113.127 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.262 81.1 p 57.85 38.17 27.1 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.677 2.391 . . . . 0.0 112.542 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -49.17 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.95 1.3 . . . . 0.0 112.711 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 25.14 65.54 0.05 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.827 2.851 . . . . 0.0 116.251 165.234 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.17 -161.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.266 1.027 . . . . 0.0 111.654 173.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.95 173.76 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.542 1.537 . . . . 0.0 114.48 159.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.5 -7.98 0.73 Allowed Glycine 0 N--CA 1.476 1.315 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -46.63 -63.08 1.1 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.471 1.635 . . . . 0.0 110.94 167.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -72.42 -31.48 65.54 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.031 -1.043 . . . . 0.0 113.028 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -55.17 -54.7 39.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.294 1.038 . . . . 0.0 110.175 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.516 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.5 tptt -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.214 1.406 . . . . 0.0 112.551 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' HG22 ' B' ' 59' ' ' THR . 1.6 mptm? -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.387 1.449 . . . . 0.0 111.149 169.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -70.75 -35.54 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 120.135 -1.603 . . . . 0.0 113.22 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.5 p -82.86 -26.83 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.223 0.609 . . . . 0.0 112.092 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.8 t -70.02 -34.46 73.31 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.774 -1.204 . . . . 0.0 112.061 173.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.73 -58.04 4.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.673 0.789 . . . . 0.0 109.652 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -37.05 78.79 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -55.34 -19.5 9.0 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.529 0.732 . . . . 0.0 112.873 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -114.91 -40.2 3.56 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -58.77 -49.29 78.22 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.88 -35.96 62.29 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.898 1.279 . . . . 0.0 112.36 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -84.69 -60.25 2.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.57 -49.32 3.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -163.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.897 1.679 . . . . 0.0 112.737 -168.714 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.3 mtp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 22.8 ttp180 -128.38 150.85 49.93 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.531 1.932 . . . . 0.0 110.675 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -119.82 10.16 11.53 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.507 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 67.5 m 50.93 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.214 2.206 . . . . 0.0 114.71 -176.256 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.79 99.71 4.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.188 2.267 . . . . 0.0 111.426 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.6 -35.18 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.178 1.391 . . . . 0.0 111.428 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' HA2' HG21 ' A' ' 59' ' ' THR . . . 102.11 3.28 51.47 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 125.148 1.356 . . . . 0.0 115.493 -177.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.81 -43.26 0.35 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 118.983 1.391 . . . . 0.0 112.482 166.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.77 47.14 15.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.722 2.409 . . . . 0.0 116.053 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.43 108.45 19.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -157.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.322 3.2 t 52.39 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 129.242 3.017 . . . . 0.0 114.744 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.89 -28.23 68.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.501 1.12 . . . . 0.0 112.537 167.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -104.41 9.17 35.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.471 1.108 . . . . 0.0 112.753 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -71.27 -11.98 61.21 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -42.84 -31.19 0.46 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.843 1.657 . . . . 0.0 114.533 -174.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.4 tptp -52.27 -64.98 0.64 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.863 1.665 . . . . 0.0 112.907 167.47 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.16 -35.15 73.81 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.438 2.295 . . . . 0.0 109.735 -173.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.77 -52.35 64.26 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.065 1.346 . . . . 0.0 108.527 167.655 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.4 tm? -69.01 -44.75 72.13 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -164.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -56.02 -39.82 72.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 128.032 2.533 . . . . 0.0 114.985 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -77.49 -27.28 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.856 1.207 . . . . 0.0 112.668 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.3 tp -76.69 -30.69 56.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.342 1.057 . . . . 0.0 112.458 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 125.299 1.44 . . . . 0.0 112.987 172.774 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.1 -34.4 21.84 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 119.945 1.248 . . . . 0.0 113.714 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.6 -36.43 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 124.179 0.992 . . . . 0.0 112.373 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -54.58 -42.95 71.67 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.913 -1.117 . . . . 0.0 110.408 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.17 -45.87 86.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.216 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.87 -55.81 15.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.335 1.425 . . . . 0.0 112.084 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -66.9 -39.82 87.55 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.917 0.865 . . . . 0.0 111.859 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -62.39 -44.7 95.84 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.42 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.35 -54.14 37.69 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.174 1.79 . . . . 0.0 110.877 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.36 -40.4 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 121.595 -0.691 . . . . 0.0 111.981 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.37 -24.06 61.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 118.783 -1.167 . . . . 0.0 113.504 174.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.41 -31.54 72.79 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.583 1.083 . . . . 0.0 111.055 169.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.03 -47.85 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.512 -1.368 . . . . 0.0 110.702 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.47 -49.83 61.82 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 t -117.83 -27.79 6.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.593 1.157 . . . . 0.0 113.249 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.58 -16.42 73.92 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.414 1.006 . . . . 0.0 113.229 170.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.318 61.9 p 54.68 35.95 25.02 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.519 2.328 . . . . 0.0 114.509 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -64.85 133.82 52.73 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.113 0.965 . . . . 0.0 110.765 171.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -156.06 112.59 3.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.41 1.884 . . . . 0.0 108.227 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.9 -172.27 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.515 1.126 . . . . 0.0 112.042 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -66.44 36.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 129.62 3.168 . . . . 0.0 117.051 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.1 -6.63 59.17 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 126.177 1.846 . . . . 0.0 115.07 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 m -60.78 -58.99 6.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.801 1.801 . . . . 0.0 110.873 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -65.15 -33.2 75.45 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.688 -1.257 . . . . 0.0 112.916 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -55.88 -58.31 8.41 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.554 1.142 . . . . 0.0 110.864 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.1 tptt -58.92 -43.15 91.06 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.914 1.286 . . . . 0.0 112.445 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.629 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -52.86 -52.38 57.5 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.043 1.292 . . . . 0.0 111.517 170.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.94 -25.43 43.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 119.505 -1.997 . . . . 0.0 114.85 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.0 p -81.96 -27.06 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.628 -0.67 . . . . 0.0 111.263 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.8 t -68.76 -33.02 73.2 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.747 -1.221 . . . . 0.0 111.504 171.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.99 -57.65 5.47 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.281 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -38.69 85.11 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.389 0.43 . . . . 0.0 111.231 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.22 -18.61 16.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.721 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -111.12 -38.34 5.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 161.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -61.55 -41.49 97.44 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 112.756 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.05 -35.75 42.08 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.603 1.561 . . . . 0.0 112.607 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -103.25 -63.25 1.19 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -174.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -75.25 -45.86 37.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.827 1.651 . . . . 0.0 114.593 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 m120 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.178 1.791 . . . . 0.0 112.813 -169.794 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -131.6 146.8 52.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.133 . . . . 0.0 112.628 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.0 mmt -121.51 12.89 10.87 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' SER . . . . . 0.482 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 68.8 m 46.36 -94.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.544 2.338 . . . . 0.0 115.187 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.425 ' O ' ' HE3' ' B' ' 56' ' ' LYS . 5.5 mt -125.98 86.06 2.48 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.22 1.827 . . . . 0.0 110.594 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.21 -37.82 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.476 -0.765 . . . . 0.0 110.515 174.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.71 3.26 52.69 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.862 1.22 . . . . 0.0 114.122 -170.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.91 -59.69 0.59 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.656 1.182 . . . . 0.0 110.328 169.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.84 42.72 32.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.776 2.031 . . . . 0.0 114.257 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 108.99 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.884 0.874 . . . . 0.0 112.839 -158.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.312 3.4 t 49.88 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.738 2.815 . . . . 0.0 115.444 177.541 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.64 -32.1 73.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.0 1.32 . . . . 0.0 112.516 167.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -101.73 8.87 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.4 1.08 . . . . 0.0 112.479 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.79 -10.82 58.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -44.31 -31.03 0.91 Allowed 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.397 1.453 . . . . 0.0 114.065 -174.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.1 tptp -47.91 -67.74 0.25 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.504 1.522 . . . . 0.0 113.523 165.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.61 -37.5 79.84 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 127.244 2.217 . . . . 0.0 109.379 -173.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -50.92 -48.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 129.246 3.019 . . . . 0.0 111.14 168.423 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.73 -44.79 55.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.543 -1.263 . . . . 0.0 108.095 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -59.15 -37.92 78.44 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.169 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 pt -79.24 -29.36 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 173.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -71.74 -31.61 66.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 pt -84.16 -170.86 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.616 1.166 . . . . 0.0 114.058 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.18 -35.38 67.17 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.545 2.338 . . . . 0.0 115.029 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -148.93 145.19 27.28 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.889 1.276 . . . . 0.0 112.211 -176.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.42 71.61 0.66 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.126 2.171 . . . . 0.0 112.168 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' TYR . . . . . 0.414 ' CE2' HD21 ' B' ' 34' ' ' LEU . 31.1 t80 -59.73 -36.05 75.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -162.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.17 -45.36 1.32 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.027 1.731 . . . . 0.0 114.09 169.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.59 -39.13 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 121.234 -0.916 . . . . 0.0 111.542 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -57.85 -40.81 81.04 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.771 -0.581 . . . . 0.0 110.684 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.414 HD21 ' CE2' ' B' ' 30' ' ' TYR . 11.2 mt -58.55 -48.33 81.25 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.528 -1.225 . . . . 0.0 110.757 170.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -53.13 -55.74 21.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.96 1.255 . . . . 0.0 111.145 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -66.07 -39.26 89.93 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 119.464 1.029 . . . . 0.0 112.285 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -63.14 -41.79 99.36 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.966 0.888 . . . . 0.0 111.023 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.53 -55.79 13.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.813 2.045 . . . . 0.0 110.824 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.08 -41.79 81.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 121.757 -0.59 . . . . 0.0 111.442 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.8 -28.48 63.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.462 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.27 -25.05 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.528 1.058 . . . . 0.0 111.366 174.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.13 -48.48 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.673 -1.267 . . . . 0.0 110.467 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.64 -43.07 81.23 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -123.54 -31.89 3.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.595 1.158 . . . . 0.0 113.257 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.24 -20.21 69.05 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.047 -1.033 . . . . 0.0 113.245 172.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.68 45.27 19.3 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.704 2.002 . . . . 0.0 113.834 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -59.99 144.94 47.97 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.262 -0.899 . . . . 0.0 110.685 161.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -143.91 123.69 13.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.488 1.115 . . . . 0.0 111.837 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 p -164.17 169.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.372 2.269 . . . . 0.0 109.209 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.97 -162.51 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.15 1.38 . . . . 0.0 112.116 166.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.42 -7.4 0.88 Allowed Glycine 0 N--CA 1.47 0.959 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 -171.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 60.2 m -47.22 -65.89 0.49 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.469 1.634 . . . . 0.0 111.364 168.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.93 -35.58 78.68 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.97 -1.081 . . . . 0.0 113.098 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -50.67 -54.81 20.03 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.68 1.192 . . . . 0.0 110.05 170.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.2 tptt -64.22 -44.98 90.23 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.534 1.533 . . . . 0.0 113.225 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 8' ' ' LEU . 0.7 OUTLIER -55.54 -44.85 77.11 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.118 1.781 . . . . 0.0 111.784 172.448 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.66 -42.31 67.66 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.301 -1.5 . . . . 0.0 112.653 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.9 p -79.6 -27.26 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.889 -0.507 . . . . 0.0 111.991 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -68.47 -37.2 79.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.074 -1.016 . . . . 0.0 111.325 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -59.58 3.18 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.906 175.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.33 98.12 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.607 0.763 . . . . 0.0 111.754 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.53 -19.49 63.69 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.785 1.234 . . . . 0.0 113.088 -174.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -110.55 -33.5 6.57 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 159.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -53.46 -52.22 60.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.504 1.956 . . . . 0.0 112.461 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -84.78 -41.0 16.57 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.868 1.318 . . . . 0.0 113.365 -167.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -64.45 -52.28 58.85 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.144 -2.298 . . . . 0.0 114.306 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.83 -85.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.599 1.56 . . . . 0.0 114.121 -170.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 127.907 2.483 . . . . 0.0 112.025 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -149.47 154.21 38.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.091 1.357 . . . . 0.0 111.86 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.11 -4.56 59.19 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.592 1.157 . . . . 0.0 113.056 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -50.41 117.53 2.47 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.085 1.354 . . . . 0.0 112.041 -170.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -70.37 152.32 44.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.788 1.235 . . . . 0.0 113.355 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -119.14 11.89 12.51 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.534 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.284 66.2 m 46.15 -89.29 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.831 2.452 . . . . 0.0 115.407 -177.595 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.23 93.47 3.08 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 122.111 2.232 . . . . 0.0 113.331 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.09 -32.23 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 126.447 1.899 . . . . 0.0 111.042 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.32 70.95 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.652 1.12 . . . . 0.0 115.265 -171.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -123.52 -68.11 0.89 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.171 1.486 . . . . 0.0 109.709 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.59 31.88 18.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.151 1.381 . . . . 0.0 114.357 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -56.79 164.39 1.54 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 126.152 1.781 . . . . 0.0 111.545 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -35.59 -43.95 0.29 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.78 -33.46 60.17 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.129 -1.607 . . . . 0.0 113.716 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.57 6.29 44.3 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.877 2.471 . . . . 0.0 113.119 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.06 -10.74 60.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.143 1.377 . . . . 0.0 113.881 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.5 pm0 -45.16 -27.15 0.57 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.9 tptp -51.66 -67.74 0.23 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.021 1.328 . . . . 0.0 113.428 164.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -67.05 -39.3 86.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.656 2.382 . . . . 0.0 109.592 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -51.65 -48.25 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 130.147 3.379 . . . . 0.0 111.671 168.102 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -75.83 -41.06 53.68 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.55 -174.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.4 HD21 ' HE2' ' A' ' 19' ' ' LYS . 79.1 m-20 -58.89 -37.58 76.91 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.741 1.617 . . . . 0.0 113.923 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 pt -79.27 -27.63 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.533 1.06 . . . . 0.0 112.976 171.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.55 -31.85 63.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.895 0.878 . . . . 0.0 112.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.6 pt -78.46 -173.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.64 1.176 . . . . 0.0 113.592 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -49.21 -41.77 38.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.378 2.271 . . . . 0.0 114.885 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -153.62 159.42 42.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.606 1.562 . . . . 0.0 111.072 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.87 147.29 43.45 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.789 0.836 . . . . 0.0 112.561 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -139.09 -27.99 0.8 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -167.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.21 33.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.249 1.023 . . . . 0.0 112.345 172.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.494 HG23 HG21 ' B' ' 32' ' ' ILE . 1.7 mp -64.6 -37.58 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.8 1.64 . . . . 0.0 112.547 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.73 -45.19 90.18 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.383 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.76 -44.16 93.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 116.939 -1.505 . . . . 0.0 111.306 170.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.9 -53.33 54.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.927 1.694 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -67.77 -37.14 81.7 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 119.471 1.032 . . . . 0.0 112.144 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -41.97 98.77 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 0.0 111.326 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -69.9 -53.85 16.1 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 127.227 2.211 . . . . 0.0 110.247 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -57.0 -41.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.453 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.11 -25.54 61.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 118.584 -1.246 . . . . 0.0 113.426 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -26.47 67.29 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.557 1.071 . . . . 0.0 112.004 171.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.56 -51.52 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.523 -1.361 . . . . 0.0 110.384 167.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.8 -43.98 91.4 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.804 1.241 . . . . 0.0 113.629 -168.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -123.95 -29.03 3.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.932 1.293 . . . . 0.0 113.129 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -18.24 72.81 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 113.199 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.293 67.4 p 52.51 42.51 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.893 2.077 . . . . 0.0 114.134 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -55.64 142.4 34.04 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.726 0.81 . . . . 0.0 110.975 165.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -152.86 121.29 6.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.426 1.491 . . . . 0.0 109.976 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -162.23 165.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.868 . . . . 0.0 109.194 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -76.7 60.81 1.74 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.092 2.557 . . . . 0.0 114.35 -168.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.7 -8.88 67.19 Favored Glycine 0 N--CA 1.468 0.775 0 C-N-CA 127.598 2.523 . . . . 0.0 115.123 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 m -60.55 -58.48 8.32 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.212 2.006 . . . . 0.0 110.643 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.505 ' H ' HG13 ' A' ' 49' ' ' VAL . 6.2 t -66.53 -34.75 78.62 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -54.99 -54.38 43.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.266 1.026 . . . . 0.0 110.61 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.5 tptt -60.04 -43.06 95.59 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 125.429 1.492 . . . . 0.0 112.008 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.84 -45.43 86.25 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.244 1.384 . . . . 0.0 112.08 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.77 -42.94 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.223 -1.548 . . . . 0.0 112.351 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -78.76 -27.73 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.244 0.617 . . . . 0.0 112.025 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 t -71.44 -36.51 71.29 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.985 -1.072 . . . . 0.0 112.125 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -50.94 -55.88 15.07 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.326 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -40.0 94.35 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.781 0.719 . . . . 0.0 111.807 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.79 -18.54 32.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -33.54 6.14 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 165.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.82 -50.69 61.79 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.107 1.321 . . . . 0.0 113.895 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -70.35 -33.58 71.62 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.014 1.325 . . . . 0.0 112.514 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.89 -60.69 1.49 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -97.85 -43.04 7.28 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -160.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.403 2.281 . . . . 0.0 112.176 -174.361 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -64.04 143.34 57.95 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.508 1.123 . . . . 0.0 112.973 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.82 33.71 0.72 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.942 1.297 . . . . 0.0 113.188 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.74 109.21 3.24 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.152 -0.968 . . . . 0.0 110.794 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 13.2 ttp180 -66.28 149.82 49.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.144 0.978 . . . . 0.0 112.476 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.0 14.19 10.65 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.5 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.281 70.7 m 48.02 -86.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.969 2.508 . . . . 0.0 116.1 -176.842 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.86 106.3 6.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.179 2.718 . . . . 0.0 113.721 168.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -80.12 -38.46 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 111.733 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.69 -3.3 26.1 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.053 1.311 . . . . 0.0 115.709 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -140.73 -53.13 0.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.024 1.412 . . . . 0.0 110.564 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.12 44.39 19.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.215 1.806 . . . . 0.0 114.808 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -96.62 102.44 14.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -160.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.322 4.2 t 52.88 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.095 2.958 . . . . 0.0 115.605 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.53 -23.7 63.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.714 1.206 . . . . 0.0 112.519 166.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.46 4.99 31.21 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.466 1.507 . . . . 0.0 112.384 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -68.95 -10.72 58.79 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.37 -27.93 0.77 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -173.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.5 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.7 tptp -53.04 -66.03 0.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.201 1.4 . . . . 0.0 113.048 166.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.523 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.14 -38.2 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.493 2.317 . . . . 0.0 109.519 -173.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -52.13 -48.38 64.89 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 129.707 3.203 . . . . 0.0 111.571 167.506 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -72.88 -44.91 60.74 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.99 -34.08 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.598 1.959 . . . . 0.0 114.981 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -82.27 -28.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 119.088 0.858 . . . . 0.0 112.563 171.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -75.05 -31.1 61.2 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 pt -77.24 -177.41 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 0.0 113.405 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -61.28 -31.93 71.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -144.24 146.35 32.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.925 1.29 . . . . 0.0 112.1 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.27 141.33 58.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.08 0.952 . . . . 0.0 111.854 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -136.66 -29.68 0.93 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -161.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.89 37.01 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.502 1.501 . . . . 0.0 114.03 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.494 HG21 HG23 ' A' ' 32' ' ' ILE . 22.6 mm -71.47 -28.64 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.4 -47.41 75.94 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.8 -55.84 29.96 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 110.959 170.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 -51.85 26.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.535 1.134 . . . . 0.0 112.361 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.3 t -70.79 -39.9 72.86 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 121.509 -0.745 . . . . 0.0 111.954 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -59.17 -41.69 89.04 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.045 0.926 . . . . 0.0 110.679 174.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.59 -52.96 15.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.918 2.087 . . . . 0.0 110.692 -173.483 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.65 -42.72 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 121.613 -0.679 . . . . 0.0 111.161 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.13 -26.24 61.15 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 119.355 -0.938 . . . . 0.0 113.45 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.67 -24.46 63.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.571 1.078 . . . . 0.0 111.167 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.35 -46.35 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.915 -1.116 . . . . 0.0 110.358 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -64.45 -52.13 59.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -118.47 -30.31 5.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 112.746 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.37 -15.95 70.86 Favored Glycine 0 CA--C 1.54 1.656 0 O-C-N 121.229 -0.92 . . . . 0.0 114.015 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.3 p 53.02 41.38 32.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.176 2.19 . . . . 0.0 115.363 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.93 145.53 35.38 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.597 -0.689 . . . . 0.0 110.584 160.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -144.68 126.68 15.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.278 1.031 . . . . 0.0 111.774 -176.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -163.27 169.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 127.189 2.195 . . . . 0.0 109.278 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -60.64 -171.03 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.935 1.694 . . . . 0.0 112.239 165.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.89 -7.41 0.3 Allowed Glycine 0 N--CA 1.474 1.176 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -46.4 -67.41 0.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.526 1.663 . . . . 0.0 111.219 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -65.31 -41.58 93.89 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.182 0.901 . . . . 0.0 112.257 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -46.82 -53.2 12.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.211 1.004 . . . . 0.0 110.764 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.498 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.1 tptt -61.9 -41.67 98.18 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 125.079 1.352 . . . . 0.0 112.499 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.441 ' O ' HD23 ' B' ' 60' ' ' LEU . 13.1 mptt -60.71 -46.87 88.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.868 1.667 . . . . 0.0 112.095 172.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.28 -37.15 77.71 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 119.432 -2.042 . . . . 0.0 111.915 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.9 p -81.17 -28.36 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.521 0.728 . . . . 0.0 112.454 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.14 -32.24 66.71 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.331 -1.481 . . . . 0.0 112.269 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.441 HD23 ' O ' ' B' ' 56' ' ' LYS . 2.1 mm? -49.15 -56.09 10.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.495 175.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.53 83.4 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.225 174.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.86 -24.69 16.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 119.032 -0.509 . . . . 0.0 112.106 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -46.64 4.73 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 170.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.09 -47.62 83.81 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -74.57 -32.67 62.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.795 1.238 . . . . 0.0 112.421 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.51 -61.65 1.37 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.33 -45.15 15.3 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -168.157 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 31.8 m120 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.971 1.708 . . . . 0.0 113.198 -173.194 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -148.31 157.85 43.74 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.063 1.345 . . . . 0.0 111.752 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -155.59 163.98 39.25 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.025 1.73 . . . . 0.0 111.562 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -68.02 148.59 50.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.443 1.097 . . . . 0.0 111.627 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 18.9 ttp180 -128.19 151.76 48.86 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.288 1.835 . . . . 0.0 111.14 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.3 mmt -122.26 11.55 10.11 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.542 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.27 66.5 m 45.98 -92.34 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.293 2.237 . . . . 0.0 115.516 -177.333 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.31 91.94 3.35 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 121.18 1.809 . . . . 0.0 110.817 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.79 -32.69 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.507 1.123 . . . . 0.0 111.158 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 4.44 57.23 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.003 1.287 . . . . 0.0 114.765 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -57.43 0.78 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.759 1.28 . . . . 0.0 110.168 162.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 49.08 36.63 9.09 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.08 1.752 . . . . 0.0 113.471 -178.44 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.29 170.82 2.12 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 126.265 1.826 . . . . 0.0 111.998 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -39.03 -42.72 0.92 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -76.53 -35.01 58.53 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.295 -1.503 . . . . 0.0 113.467 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -86.66 8.09 23.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.304 2.241 . . . . 0.0 113.717 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.41 -9.63 58.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.467 -1.395 . . . . 0.0 113.901 -172.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.82 -32.57 0.63 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.743 1.617 . . . . 0.0 114.051 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.9 tptp -49.99 -67.44 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.046 1.738 . . . . 0.0 113.006 166.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.13 -36.23 74.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.321 2.249 . . . . 0.0 109.763 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -54.06 -51.28 64.6 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.821 1.248 . . . . 0.0 108.446 167.762 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 22' ' ' LEU . 1.9 tm? -68.74 -44.59 73.46 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -166.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -58.75 -24.34 61.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 128.351 2.661 . . . . 0.0 116.32 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.0 pt -92.77 -27.03 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.713 1.597 . . . . 0.0 113.419 167.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -72.98 -31.04 64.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.012 1.325 . . . . 0.0 112.696 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 pt -74.45 -177.18 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.068 1.347 . . . . 0.0 113.623 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -62.82 -26.8 68.92 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -170.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -141.76 149.78 40.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.538 1.135 . . . . 0.0 112.986 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.12 142.69 54.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.215 1.006 . . . . 0.0 112.513 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -137.46 -139.14 0.15 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.911 0.884 . . . . 0.0 112.865 -170.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.55 -43.13 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.539 3.136 . . . . 0.0 116.961 -153.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' A' ' 64' ' ' PHE . 10.5 mm -78.98 -29.55 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 125.048 1.339 . . . . 0.0 114.315 -166.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.6 -36.99 77.35 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.125 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.65 -47.32 84.22 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.356 171.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.13 -55.47 10.22 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.827 1.194 . . . . 0.0 112.46 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -66.75 -37.49 84.75 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 119.338 0.972 . . . . 0.0 111.958 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -42.62 96.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 122.027 0.918 . . . . 0.0 111.254 174.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -70.45 -54.21 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 127.012 2.125 . . . . 0.0 110.561 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.16 -42.25 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.877 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -72.21 -28.34 63.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.353 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -67.8 -23.37 65.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.216 0.916 . . . . 0.0 111.445 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.44 -46.74 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 172.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.46 -46.76 81.73 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.916 1.287 . . . . 0.0 113.533 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -125.76 -28.66 3.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.797 1.239 . . . . 0.0 113.488 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.57 74.28 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 113.426 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.05 44.52 22.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.589 1.956 . . . . 0.0 113.899 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.0 143.38 43.42 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.266 -0.896 . . . . 0.0 110.424 161.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -145.84 124.77 12.73 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.339 1.056 . . . . 0.0 111.597 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 p -164.56 171.29 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.438 2.295 . . . . 0.0 108.943 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -60.35 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.607 1.563 . . . . 0.0 111.987 164.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.83 -6.31 0.21 Allowed Glycine 0 N--CA 1.473 1.144 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -47.64 -65.59 0.54 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.027 1.914 . . . . 0.0 111.623 169.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -66.22 -36.27 82.6 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.833 -1.167 . . . . 0.0 113.071 -174.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -52.57 -56.18 17.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.737 1.215 . . . . 0.0 110.314 170.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.8 tptt -62.14 -43.6 98.47 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 117.194 -1.384 . . . . 0.0 112.725 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' O ' HG22 ' A' ' 59' ' ' THR . 1.3 mptm? -51.69 -55.58 18.72 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.701 1.591 . . . . 0.0 111.427 170.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pp -80.42 -21.69 41.95 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.83 -1.794 . . . . 0.0 114.734 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.4 p -83.91 -25.84 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.779 -0.576 . . . . 0.0 111.817 170.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.5 t -70.01 -34.2 73.0 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.718 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.81 -57.2 4.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -38.07 76.51 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 119.176 -0.44 . . . . 0.0 112.019 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.6 -23.71 18.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.528 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -117.46 -25.76 6.88 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 165.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CG ' HD11 ' A' ' 32' ' ' ILE . 52.6 t80 -66.33 -48.14 71.24 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 121.679 2.036 . . . . 0.0 113.137 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -72.06 -35.05 69.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.152 1.381 . . . . 0.0 112.219 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.69 -63.07 1.24 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -102.96 -42.9 5.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -158.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.276 1.431 . . . . 0.0 113.255 -169.809 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -139.47 162.44 35.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.099 1.359 . . . . 0.0 112.283 -172.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 55.8 31.66 18.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.527 1.531 . . . . 0.0 114.782 172.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtt -58.04 120.92 9.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.42 -0.8 . . . . 0.0 112.118 -169.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 2.0 ttp180 -68.3 150.15 48.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.524 1.13 . . . . 0.0 112.921 -168.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.4 mmt -121.71 16.6 11.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.271 92.0 p 42.74 -92.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.348 2.659 . . . . 0.0 115.298 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -132.7 95.12 3.53 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 121.065 1.757 . . . . 0.0 110.735 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -77.18 -30.92 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.473 1.509 . . . . 0.0 111.493 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.96 54.86 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.89 1.71 . . . . 0.0 114.944 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 -62.21 1.04 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.187 1.494 . . . . 0.0 108.956 166.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 35.47 25.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.012 1.725 . . . . 0.0 113.812 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -57.14 162.98 2.31 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.793 1.637 . . . . 0.0 111.791 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -34.96 -43.18 0.18 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.39 -30.1 60.02 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.325 -1.484 . . . . 0.0 113.682 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.55 5.93 49.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.582 2.753 . . . . 0.0 113.098 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.53 -10.62 60.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.958 1.303 . . . . 0.0 114.332 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.729 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.3 pm0 -42.88 -27.99 0.22 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 114.138 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.442 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 3.3 tptp -52.07 -68.29 0.18 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.628 1.571 . . . . 0.0 112.797 165.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.524 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.41 -38.03 80.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.695 2.398 . . . . 0.0 109.391 -173.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.729 HD23 ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -55.57 -49.82 71.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.477 1.911 . . . . 0.0 109.478 167.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.21 -41.78 73.2 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -167.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -59.19 -35.78 74.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.261 2.624 . . . . 0.0 115.126 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.9 pt -80.02 -26.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.253 1.388 . . . . 0.0 112.782 170.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -76.9 -31.71 56.91 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.276 1.03 . . . . 0.0 112.478 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -78.46 -169.31 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 125.327 1.451 . . . . 0.0 113.051 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -48.84 -45.07 40.14 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.214 2.206 . . . . 0.0 114.798 -172.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -158.32 160.39 36.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.012 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.56 144.95 19.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.202 1.001 . . . . 0.0 111.651 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' TYR . . . . . 0.505 ' CE2' HD21 ' B' ' 34' ' ' LEU . 42.1 t80 -143.21 -33.82 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.877 1.271 . . . . 0.0 113.875 -166.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 -46.4 9.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.269 1.828 . . . . 0.0 112.871 168.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.457 HG21 ' CG2' ' A' ' 32' ' ' ILE . 25.2 mm -78.34 -25.55 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 121.106 -0.996 . . . . 0.0 113.214 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.1 -41.42 88.05 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.73 -1.231 . . . . 0.0 110.065 166.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' B' ' 30' ' ' TYR . 6.5 mt -55.52 -53.66 53.57 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.976 169.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.494 HD23 ' HG ' ' B' ' 60' ' ' LEU . 2.7 tm? -46.68 -53.91 10.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.377 1.071 . . . . 0.0 112.085 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -64.64 -43.58 93.21 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 119.216 0.917 . . . . 0.0 111.89 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -41.1 85.06 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 122.826 1.298 . . . . 0.0 111.074 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -77.14 -50.36 13.18 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.732 2.013 . . . . 0.0 111.439 -171.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.73 -41.72 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.316 -0.865 . . . . 0.0 111.011 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.7 -26.83 62.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.839 -1.144 . . . . 0.0 113.408 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -64.28 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.526 1.057 . . . . 0.0 110.666 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.44 -46.2 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 120.569 -1.332 . . . . 0.0 110.647 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.8 -44.89 80.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.719 1.208 . . . . 0.0 113.625 -172.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -124.02 -31.38 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.457 1.103 . . . . 0.0 113.378 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.58 -17.76 67.16 Favored Glycine 0 CA--C 1.54 1.623 0 O-C-N 121.015 -1.053 . . . . 0.0 113.304 172.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m 57.13 46.98 18.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.034 2.134 . . . . 0.0 113.696 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -62.25 148.05 46.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.999 0.92 . . . . 0.0 110.672 163.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.66 125.89 20.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.834 1.253 . . . . 0.0 111.077 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -164.11 168.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.159 2.184 . . . . 0.0 109.518 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -61.61 -169.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.108 1.763 . . . . 0.0 112.284 165.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.36 0.24 Allowed Glycine 0 N--CA 1.473 1.133 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -47.7 -63.35 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.854 1.827 . . . . 0.0 111.009 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -66.2 -40.9 90.72 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.888 1.222 . . . . 0.0 112.539 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -47.86 -54.39 12.69 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.064 0.946 . . . . 0.0 110.625 171.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.479 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.7 tptt -61.5 -45.3 94.8 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 116.694 -1.622 . . . . 0.0 112.85 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.508 ' O ' HG22 ' B' ' 59' ' ' THR . 1.6 mptm? -50.74 -57.12 9.11 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 121.099 1.772 . . . . 0.0 111.268 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.52 -30.11 65.55 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.81 -1.806 . . . . 0.0 112.674 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.7 p -83.42 -27.33 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.705 -0.622 . . . . 0.0 112.548 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.508 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.0 t -71.55 -32.1 67.74 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.439 -1.413 . . . . 0.0 112.183 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.494 ' HG ' HD23 ' B' ' 35' ' ' LEU . 2.1 mm? -45.66 -59.19 2.9 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.92 0.888 . . . . 0.0 110.159 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -35.87 73.04 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 119.447 -0.311 . . . . 0.0 111.602 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.72 -19.62 28.66 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.761 -0.637 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -32.9 5.6 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 164.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -65.54 -52.77 50.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 113.632 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -69.14 -33.38 73.35 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.066 -1.021 . . . . 0.0 112.405 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -91.09 -59.88 2.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.514 1.926 . . . . 0.0 115.759 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -102.35 -45.65 5.03 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -160.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.927 2.091 . . . . 0.0 112.482 -175.17 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.489 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m -72.16 153.75 41.46 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.446 1.098 . . . . 0.0 112.927 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -127.15 146.58 50.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.584 1.554 . . . . 0.0 111.276 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 tpp -138.08 146.65 43.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.892 1.677 . . . . 0.0 110.078 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 6.1 ttp180 -96.79 146.2 25.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -168.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -127.14 63.83 1.32 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.209 1.003 . . . . 0.0 109.069 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 41.0 m -47.54 115.82 1.25 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.042 0.937 . . . . 0.0 113.469 -170.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.275 3.8 mt 51.7 70.21 0.57 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.259 3.024 . . . . 0.0 114.169 175.235 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -66.29 -30.54 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.818 1.247 . . . . 0.0 111.171 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.49 2.29 57.67 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 125.959 1.742 . . . . 0.0 115.145 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -134.53 -56.17 0.84 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.984 1.392 . . . . 0.0 110.206 164.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.92 44.15 23.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 113.718 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 97.33 9.17 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 113.531 -163.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.304 4.5 t 52.15 -68.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.821 2.849 . . . . 0.0 115.811 171.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -65.93 -26.57 67.66 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 120.506 -1.372 . . . . 0.0 112.391 164.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -99.98 5.97 45.15 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.703 1.601 . . . . 0.0 111.952 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.94 -8.98 53.31 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.51 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.5 pm0 -43.48 -28.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -175.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -55.34 -64.29 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.284 1.434 . . . . 0.0 112.258 168.588 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -70.09 -36.77 75.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 127.708 2.403 . . . . 0.0 109.763 -174.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -58.01 -52.38 65.74 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 125.158 1.383 . . . . 0.0 109.032 168.623 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.2 tp -69.26 -42.34 75.7 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -163.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -52.21 -44.85 64.97 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.384 2.274 . . . . 0.0 115.351 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.59 -25.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 121.076 1.762 . . . . 0.0 112.435 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -77.79 -30.77 51.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.391 1.077 . . . . 0.0 112.82 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.7 pt -76.58 -170.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 125.121 1.368 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -45.9 -43.99 14.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.418 2.287 . . . . 0.0 114.693 -171.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -153.97 159.21 41.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.386 1.474 . . . . 0.0 111.107 171.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.35 146.02 41.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 112.447 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -138.37 -28.84 0.83 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -164.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.17 57.31 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.8 1.182 . . . . 0.0 112.505 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 32' ' ' ILE . 1.5 mm -66.96 -33.53 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -58.89 -40.88 85.76 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.4 -41.05 96.86 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 115.969 -1.967 . . . . 0.0 110.549 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.5 tp -53.43 -56.04 20.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.938 2.154 . . . . 0.0 111.844 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.2 t -66.26 -38.17 87.2 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 119.148 0.885 . . . . 0.0 111.74 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -61.69 -43.46 98.81 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.927 0.87 . . . . 0.0 111.046 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.19 -55.07 13.62 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.135 2.174 . . . . 0.0 110.518 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.69 -41.47 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.342 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -70.88 -26.97 63.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 118.423 -1.311 . . . . 0.0 113.348 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.56 -26.22 67.02 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.402 1.001 . . . . 0.0 112.053 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 42' ' ' ILE . 3.1 mp -80.97 -51.65 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.395 -1.441 . . . . 0.0 110.533 167.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.242 1.017 . . . . 0.0 113.637 -167.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 t -123.19 -29.25 3.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.525 1.13 . . . . 0.0 113.46 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 -17.56 75.73 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 119.65 1.114 . . . . 0.0 113.427 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.3 81.6 p 53.12 41.01 32.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.023 2.129 . . . . 0.0 114.642 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.54 142.15 45.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.885 0.874 . . . . 0.0 110.915 165.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -152.58 128.98 10.61 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 110.582 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.508 HG13 ' H ' ' A' ' 53' ' ' THR . 2.1 p -161.84 166.29 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.497 1.919 . . . . 0.0 109.156 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -64.01 59.93 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 131.007 3.723 . . . . 0.0 116.211 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.3 -6.42 15.49 Favored Glycine 0 N--CA 1.469 0.894 0 C-N-CA 126.717 2.104 . . . . 0.0 115.359 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.0 m -61.12 -58.34 8.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.576 2.188 . . . . 0.0 110.582 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.508 ' H ' HG13 ' A' ' 49' ' ' VAL . 7.1 t -61.5 -37.53 84.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.821 0.848 . . . . 0.0 113.227 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -56.28 -57.1 13.7 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.713 1.205 . . . . 0.0 110.796 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 58' ' ' VAL . 24.2 tptt -59.99 -44.56 94.43 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.285 1.434 . . . . 0.0 112.113 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER -50.27 -52.83 33.0 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.215 1.37 . . . . 0.0 111.635 169.615 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.61 -25.11 41.54 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.953 -1.717 . . . . 0.0 114.81 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.3 p -81.21 -26.49 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.635 -0.665 . . . . 0.0 111.722 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.8 t -71.86 -30.98 66.0 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.461 -1.399 . . . . 0.0 112.381 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.41 -56.84 7.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.916 172.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -37.68 84.77 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.92 0.327 . . . . 0.0 111.615 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.82 -24.7 24.13 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.747 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 -39.95 5.45 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 171.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 32' ' ' ILE . 73.5 t80 -65.33 -51.29 61.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.969 0.908 . . . . 0.0 113.082 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -70.34 -36.48 74.24 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 112.319 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -90.22 -61.67 1.63 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -100.73 -35.83 9.32 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -159.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.425 1.89 . . . . 0.0 112.756 -179.255 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -68.77 152.59 45.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.47 1.108 . . . . 0.0 113.231 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -71.32 167.52 19.32 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.127 0.971 . . . . 0.0 112.229 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.2 tpp -65.33 141.6 58.52 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.305 -0.872 . . . . 0.0 110.51 162.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.594 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 46.9 ttp180 -137.92 143.73 40.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.768 1.627 . . . . 0.0 110.281 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 79.5 mmm -124.3 70.43 1.1 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.777 0.799 . . . . 0.0 110.606 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 67.7 m -76.93 102.85 6.56 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.649 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -133.99 142.75 47.78 Favored 'General case' 0 CA--C 1.535 0.397 1 C-N-CA 136.667 5.987 . . . . 0.0 107.119 -1.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -92.41 -43.05 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.39 1.28 27.92 Favored Glycine 0 CA--C 1.546 2.028 0 C-N-CA 125.138 1.351 . . . . 0.0 115.267 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -139.74 -60.75 0.54 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.85 1.325 . . . . 0.0 110.668 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.45 36.17 22.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.092 1.357 . . . . 0.0 113.715 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' PHE . . . . . 0.415 ' HA ' ' HE ' ' B' ' 63' ' ' ARG . 19.6 m-30 -55.66 162.82 1.54 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.701 1.6 . . . . 0.0 111.667 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -35.23 -42.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.82 -29.09 50.45 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.121 -1.612 . . . . 0.0 114.038 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 7.51 45.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.009 2.923 . . . . 0.0 112.869 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.31 -8.92 56.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.566 1.147 . . . . 0.0 113.9 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.465 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -45.56 -27.75 0.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.748 1.219 . . . . 0.0 113.998 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.2 tptt -47.53 -73.28 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.718 2.007 . . . . 0.0 113.365 162.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.528 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -67.45 -35.21 78.76 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.901 2.48 . . . . 0.0 109.987 -173.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -52.78 -50.62 63.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.368 3.067 . . . . 0.0 111.537 167.752 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -72.61 -39.66 67.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 116.453 -2.099 . . . . 0.0 107.726 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' B' ' 19' ' ' LYS . 90.5 m-20 -64.14 -26.03 68.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.136 1.774 . . . . 0.0 115.287 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -86.24 -29.89 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.825 1.193 . . . . 0.0 112.314 166.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.49 -27.68 63.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.923 0.889 . . . . 0.0 113.044 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.41 -141.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.897 1.679 . . . . 0.0 112.121 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -62.69 11.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 128.345 2.658 . . . . 0.0 115.481 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 68.07 149.43 0.06 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.479 3.112 . . . . 0.0 116.455 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 56.48 20.95 5.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.176 2.19 . . . . 0.0 116.77 168.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -57.98 -31.7 67.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -169.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.8 -36.95 7.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.79 0.836 . . . . 0.0 113.08 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.65 -29.35 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.58 -44.22 93.39 Favored 'General case' 0 C--O 1.242 0.708 0 O-C-N 121.383 -0.823 . . . . 0.0 110.202 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -49.1 78.66 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.211 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.8 tp -48.44 -55.11 11.77 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.73 1.604 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.8 t -68.19 -41.95 80.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.456 0.571 . . . . 0.0 111.61 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -62.64 -38.93 92.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.03 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.77 -54.79 9.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.304 2.242 . . . . 0.0 110.966 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.91 -43.4 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.019 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.6 -28.7 62.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 118.615 -1.234 . . . . 0.0 113.498 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.97 -23.02 64.07 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.587 1.085 . . . . 0.0 111.606 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.22 -46.97 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.693 -1.254 . . . . 0.0 110.199 173.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.26 -48.58 72.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.479 1.112 . . . . 0.0 113.494 -173.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -119.39 -31.26 4.68 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.505 1.122 . . . . 0.0 113.096 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.22 -15.28 72.21 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 121.237 -0.914 . . . . 0.0 114.225 171.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.316 82.1 p 54.5 37.65 28.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.218 2.207 . . . . 0.0 115.826 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.28 149.39 38.06 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.253 -0.904 . . . . 0.0 110.998 160.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -153.1 138.52 17.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.259 1.023 . . . . 0.0 112.074 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.556 HG13 ' H ' ' B' ' 53' ' ' THR . 2.6 p -161.26 160.96 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.759 2.023 . . . . 0.0 109.636 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.46 70.17 2.3 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.536 2.335 . . . . 0.0 114.455 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.38 -10.94 19.69 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 127.962 2.696 . . . . 0.0 115.55 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -58.6 -60.43 3.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.667 1.734 . . . . 0.0 109.52 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.556 ' H ' HG13 ' B' ' 49' ' ' VAL . 12.2 t -60.99 -44.58 97.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.584 -0.697 . . . . 0.0 112.578 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -47.17 -54.01 11.69 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.328 1.051 . . . . 0.0 111.198 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.8 tptt -60.78 -40.56 93.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 125.494 1.518 . . . . 0.0 112.671 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.462 ' O ' HD23 ' B' ' 60' ' ' LEU . 1.1 mptm? -55.73 -51.07 68.62 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.857 1.662 . . . . 0.0 111.965 167.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -66.58 -34.69 78.45 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.26 -2.15 . . . . 0.0 112.208 -175.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' B' ' 55' ' ' LYS . 8.3 p -86.39 -26.53 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -71.18 -30.73 66.78 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 120.315 -1.491 . . . . 0.0 112.361 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.462 HD23 ' O ' ' B' ' 56' ' ' LYS . 2.9 mm? -45.88 -57.27 4.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 0.0 110.55 170.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -36.27 77.77 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 117.945 0.339 . . . . 0.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.63 -19.55 16.78 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.877 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.415 ' HE ' ' HA ' ' B' ' 13' ' ' PHE . 62.9 mtt-85 -116.82 -29.9 5.91 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 163.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.74 -46.74 74.46 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.548 1.522 . . . . 0.0 113.657 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -74.52 -35.71 63.16 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.695 1.198 . . . . 0.0 112.598 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -92.52 -58.7 2.28 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -103.76 -35.78 8.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -158.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.587 1.955 . . . . 0.0 112.282 -176.328 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -149.68 164.15 36.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.353 1.461 . . . . 0.0 111.614 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -147.8 167.81 23.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.348 1.459 . . . . 0.0 111.775 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt -81.23 152.75 27.51 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.571 1.148 . . . . 0.0 112.015 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 13.2 ttp180 -125.07 151.35 45.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.669 1.988 . . . . 0.0 111.157 176.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.0 11.52 10.29 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.571 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.253 68.5 m 47.79 -88.5 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.204 2.602 . . . . 0.0 116.109 -178.009 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.33 92.12 3.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.878 1.672 . . . . 0.0 110.279 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.8 mt -76.62 -39.23 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.451 0.7 . . . . 0.0 111.255 179.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.73 1.54 49.5 Favored Glycine 0 CA--C 1.546 1.995 0 C-N-CA 124.921 1.248 . . . . 0.0 114.797 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -138.06 -51.51 0.6 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.147 1.474 . . . . 0.0 112.061 168.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.68 37.16 12.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.731 2.013 . . . . 0.0 115.572 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.43 105.41 17.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.577 0.751 . . . . 0.0 112.531 -160.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 4.6 t 51.66 -71.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.717 2.807 . . . . 0.0 115.148 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.37 -31.57 72.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.568 1.147 . . . . 0.0 112.561 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' HA ' HE22 ' A' ' 18' ' ' GLN . 36.8 mm-40 -100.31 6.72 44.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.161 0.984 . . . . 0.0 112.019 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -69.8 -8.5 48.76 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.41 HE22 ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -42.87 -30.99 0.44 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.775 1.625 . . . . 0.0 115.204 -176.08 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.3 tptp -53.56 -64.07 0.94 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.673 1.589 . . . . 0.0 112.535 168.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.3 mm? -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 127.857 2.463 . . . . 0.0 109.629 -173.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -53.53 55.82 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 108.298 167.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.22 -45.8 72.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -162.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -52.28 -42.05 63.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.798 2.439 . . . . 0.0 114.839 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 pt -79.59 -26.32 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.782 1.174 . . . . 0.0 112.864 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.1 -30.22 55.25 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.409 1.084 . . . . 0.0 112.727 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -74.29 -177.26 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 124.892 1.277 . . . . 0.0 113.051 173.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.23 -28.95 69.53 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -167.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -147.41 155.07 41.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.713 1.205 . . . . 0.0 111.692 165.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.04 150.3 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 112.572 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 8.2 t80 -130.33 -53.34 1.1 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -170.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -35.62 -43.14 0.26 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.607 2.363 . . . . 0.0 116.73 -171.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' B' ' 32' ' ' ILE . 1.8 mp -69.8 -34.37 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.95 -43.31 86.31 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.875 -1.141 . . . . 0.0 110.188 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 34' ' ' LEU . 4.1 mp -60.96 -45.57 94.19 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.035 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.86 -55.47 14.16 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.327 1.421 . . . . 0.0 111.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -66.17 -38.2 87.48 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 119.805 1.184 . . . . 0.0 112.358 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.81 92.15 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.717 1.246 . . . . 0.0 111.422 174.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -74.02 -52.25 13.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.928 2.091 . . . . 0.0 110.811 -172.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 pp -56.74 -41.95 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.025 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.39 -27.27 62.26 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.517 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -66.37 -25.13 66.65 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.52 1.055 . . . . 0.0 111.121 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.04 -47.44 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 120.977 -1.077 . . . . 0.0 110.948 171.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.16 -43.93 93.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.567 1.147 . . . . 0.0 113.565 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 -31.74 2.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.68 1.192 . . . . 0.0 113.489 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -18.47 65.88 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 120.885 -1.135 . . . . 0.0 113.516 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.53 43.32 22.91 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.749 2.019 . . . . 0.0 113.886 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.59 140.91 55.95 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.29 -0.881 . . . . 0.0 109.87 158.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -145.43 125.07 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.089 0.955 . . . . 0.0 112.046 -173.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -165.26 171.51 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.452 2.301 . . . . 0.0 109.141 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -60.22 -170.03 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.055 1.742 . . . . 0.0 112.107 164.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -6.84 0.37 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 117.902 1.921 . . . . 0.0 117.902 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.2 m -46.89 -65.57 0.54 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 119.623 1.712 . . . . 0.0 111.264 169.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -66.88 -38.94 87.25 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -49.54 -53.54 22.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.211 1.004 . . . . 0.0 110.713 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.3 tptt -61.76 -41.22 97.41 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.017 1.327 . . . . 0.0 112.429 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 59' ' ' THR . 12.9 mptt -57.25 -47.8 80.46 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.479 1.49 . . . . 0.0 112.589 171.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.27 -35.63 66.21 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 119.805 -1.81 . . . . 0.0 112.758 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.0 p -80.48 -27.02 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.794 -0.566 . . . . 0.0 111.922 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 56' ' ' LYS . 6.6 t -70.54 -35.0 72.88 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.659 -1.275 . . . . 0.0 112.057 171.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.87 -54.8 7.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.423 173.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.62 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 175.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -57.73 -19.13 25.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.985 0.914 . . . . 0.0 113.096 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -111.96 -34.05 6.1 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 157.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -49.33 67.96 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.6 2.0 . . . . 0.0 113.559 -173.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -71.75 -29.87 64.97 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.623 1.169 . . . . 0.0 112.514 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -101.53 -58.31 1.91 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.468 2.307 . . . . 0.0 116.585 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -104.78 -43.31 5.14 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -157.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 113.262 -174.879 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -65.47 -21.6 66.66 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.956 0.903 . . . . 0.0 113.385 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -145.62 179.56 7.35 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.792 2.037 . . . . 0.0 110.097 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ttt -83.68 147.17 27.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.214 1.005 . . . . 0.0 111.217 169.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 15.0 ttp180 -129.68 153.36 48.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.327 1.451 . . . . 0.0 111.269 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mmt -120.3 11.41 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.496 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.253 69.9 m 46.16 -93.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.347 2.259 . . . . 0.0 115.227 -176.856 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.67 95.45 4.35 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.497 1.953 . . . . 0.0 109.89 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -77.54 -41.16 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.0 110.745 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.53 -0.73 39.76 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 125.704 1.621 . . . . 0.0 114.077 -170.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -132.22 -67.93 0.64 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.158 1.383 . . . . 0.0 109.249 170.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 34.09 22.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.319 1.448 . . . . 0.0 114.329 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.98 164.36 1.23 Allowed 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.76 1.624 . . . . 0.0 111.83 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -36.5 -42.67 0.36 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.23 -32.57 58.98 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.179 -1.575 . . . . 0.0 113.733 175.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -92.47 8.39 38.93 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.223 2.609 . . . . 0.0 112.974 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.79 -8.87 57.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.295 1.438 . . . . 0.0 114.1 -173.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -44.97 -28.14 0.63 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.819 1.247 . . . . 0.0 114.258 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.7 tptp -49.95 -69.71 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.125 1.77 . . . . 0.0 113.766 163.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.481 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.34 -36.93 79.98 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 127.557 2.343 . . . . 0.0 109.783 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.418 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -48.74 -50.05 35.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 129.316 3.046 . . . . 0.0 111.148 165.832 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.32 -41.86 60.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 117.619 -1.632 . . . . 0.0 108.817 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.0 -25.97 68.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 126.303 1.841 . . . . 0.0 114.867 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -88.75 -27.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.838 0.745 . . . . 0.0 112.925 168.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.59 -30.77 67.54 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.054 0.942 . . . . 0.0 112.732 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.2 pt -82.02 -175.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.076 1.35 . . . . 0.0 113.625 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -63.39 -32.03 73.36 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -142.84 149.49 38.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.726 1.21 . . . . 0.0 112.64 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.73 78.69 1.11 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.56 1.944 . . . . 0.0 112.539 -172.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' TYR . . . . . 0.426 ' CE2' HD21 ' B' ' 34' ' ' LEU . 24.1 t80 -66.63 -43.67 84.04 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 -158.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -32.2 -47.44 0.15 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.451 2.301 . . . . 0.0 115.731 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.475 HG21 ' CG2' ' A' ' 32' ' ' ILE . 32.4 mm -74.97 -27.67 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 120.296 1.407 . . . . 0.0 113.945 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.67 -38.9 79.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.813 -1.179 . . . . 0.0 110.307 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.426 HD21 ' CE2' ' B' ' 30' ' ' TYR . 12.3 mt -58.92 -57.88 11.11 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.581 168.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.34 -52.36 9.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.499 1.52 . . . . 0.0 112.109 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -47.96 66.81 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 119.409 1.004 . . . . 0.0 111.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.58 67.93 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 122.55 1.167 . . . . 0.0 110.399 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -76.04 -51.09 13.04 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 127.658 2.383 . . . . 0.0 112.377 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 pp -56.71 -38.91 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.926 0.785 . . . . 0.0 110.715 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.0 -30.41 63.76 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.71 -27.47 69.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.408 1.458 . . . . 0.0 111.203 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.84 -48.07 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.946 -1.096 . . . . 0.0 110.852 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.13 -45.57 69.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.398 1.079 . . . . 0.0 113.795 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -119.07 -32.06 4.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.96 1.304 . . . . 0.0 112.766 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.6 -13.57 74.63 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.083 -1.01 . . . . 0.0 114.058 171.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.314 81.7 p 54.94 37.37 28.67 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.138 2.175 . . . . 0.0 115.293 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.29 142.14 58.36 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.602 -0.686 . . . . 0.0 110.274 159.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -160.99 137.55 8.58 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.496 1.118 . . . . 0.0 111.771 172.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.34 -158.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 126.66 1.984 . . . . 0.0 109.329 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -55.97 -174.88 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.71 1.604 . . . . 0.0 113.635 160.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.26 -7.67 2.05 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 119.948 -1.72 . . . . 0.0 116.391 175.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -49.2 -58.28 5.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.174 1.987 . . . . 0.0 110.985 171.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -66.66 -42.46 86.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.95 1.25 . . . . 0.0 112.532 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -48.25 -53.43 17.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.387 1.075 . . . . 0.0 111.238 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.472 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.9 tptt -59.7 -42.68 93.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.784 1.634 . . . . 0.0 112.932 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.411 ' O ' HD23 ' B' ' 60' ' ' LEU . 1.5 mptm? -52.66 -52.97 53.4 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 121.066 1.757 . . . . 0.0 111.503 169.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.74 -36.08 77.94 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.184 -1.573 . . . . 0.0 112.635 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.3 p -84.85 -27.45 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 112.445 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 t -70.06 -34.09 72.76 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 120.737 -1.227 . . . . 0.0 111.76 174.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.411 HD23 ' O ' ' B' ' 56' ' ' LYS . 1.6 mm? -45.77 -59.13 2.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.465 0.706 . . . . 0.0 111.022 175.092 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -36.46 74.07 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.338 -0.363 . . . . 0.0 111.723 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.98 -19.37 17.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.205 0.602 . . . . 0.0 112.508 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -34.44 5.62 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 164.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.12 -49.75 70.98 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.072 1.305 . . . . 0.0 113.703 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -72.78 -35.29 67.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.592 1.157 . . . . 0.0 112.596 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.51 -58.26 2.59 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -102.25 -44.48 5.4 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -161.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.087 2.155 . . . . 0.0 112.428 -175.751 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t 59.88 177.41 0.09 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.942 1.697 . . . . 0.0 114.58 -173.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -154.34 173.77 15.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.021 1.728 . . . . 0.0 111.76 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -83.29 152.37 25.16 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.564 1.146 . . . . 0.0 111.635 165.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.3 ttp180 -128.82 155.21 45.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.245 1.818 . . . . 0.0 111.498 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.2 mmm -120.77 7.01 10.44 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.549 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.264 74.8 m 48.14 -86.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.54 2.336 . . . . 0.0 115.172 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.56 97.87 4.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 121.363 1.892 . . . . 0.0 110.471 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.49 -38.03 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.828 0.851 . . . . 0.0 110.776 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 7.51 54.37 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.596 1.093 . . . . 0.0 114.013 -170.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.7 -64.26 0.46 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.356 1.462 . . . . 0.0 110.906 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.7 33.47 13.98 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.501 1.52 . . . . 0.0 114.385 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -63.19 167.83 4.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 125.479 1.512 . . . . 0.0 111.305 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -33.52 -45.36 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -77.14 -30.41 55.09 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.144 -1.597 . . . . 0.0 113.88 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.72 7.2 46.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.183 2.593 . . . . 0.0 113.154 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.69 -12.59 61.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.881 1.672 . . . . 0.0 113.95 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -44.44 -28.89 0.61 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.8 tptp -49.48 -70.16 0.1 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.835 1.654 . . . . 0.0 113.607 164.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.584 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -67.92 -36.57 80.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.321 2.248 . . . . 0.0 109.794 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -50.87 -47.98 60.36 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.974 2.91 . . . . 0.0 111.243 166.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -73.84 -42.0 61.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.716 -1.593 . . . . 0.0 108.813 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.14 -15.68 57.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.787 2.035 . . . . 0.0 115.568 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.6 pt -100.27 -26.88 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.222 1.009 . . . . 0.0 113.427 165.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -30.24 66.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.856 1.262 . . . . 0.0 112.794 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.0 pt -75.79 -176.78 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.778 1.231 . . . . 0.0 113.573 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -62.32 -28.27 69.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -147.42 151.1 35.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.845 1.258 . . . . 0.0 112.207 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 144.15 56.99 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.77 1.228 . . . . 0.0 113.077 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -136.65 -137.9 0.15 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.245 1.018 . . . . 0.0 112.419 -176.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.62 -43.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 129.718 3.207 . . . . 0.0 117.15 -155.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.12 -30.5 36.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 124.765 1.226 . . . . 0.0 113.713 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.23 -41.61 68.91 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.826 -0.546 . . . . 0.0 110.364 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.41 -48.82 73.93 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.187 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -53.39 32.18 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.736 1.153 . . . . 0.0 111.818 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -68.4 -38.92 81.73 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.516 -0.74 . . . . 0.0 112.43 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -41.96 97.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.729 0.776 . . . . 0.0 110.688 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.16 -54.01 21.02 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.967 2.107 . . . . 0.0 110.698 -175.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.32 -42.68 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.921 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.59 -27.41 62.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 119.065 -1.054 . . . . 0.0 113.607 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.05 -24.34 64.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.757 1.162 . . . . 0.0 111.234 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.82 -46.99 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.002 -1.061 . . . . 0.0 110.305 171.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.54 -48.32 72.85 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -119.83 -32.62 4.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.942 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.88 -13.91 64.7 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 114.093 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.365 3.5 t 55.24 37.87 29.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.324 2.25 . . . . 0.0 115.024 175.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -60.36 144.85 49.81 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.994 -1.066 . . . . 0.0 110.577 161.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -148.32 135.63 20.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.517 1.127 . . . . 0.0 111.74 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.74 170.34 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.9 2.08 . . . . 0.0 109.534 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.79 -169.93 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.519 1.927 . . . . 0.0 113.248 161.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.53 -6.55 0.19 Allowed Glycine 0 N--CA 1.475 1.291 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.9 m -48.7 -66.56 0.38 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.776 1.788 . . . . 0.0 111.37 170.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -67.88 -33.3 74.47 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.137 -0.977 . . . . 0.0 113.08 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -53.44 -54.64 34.05 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.208 1.003 . . . . 0.0 109.988 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.7 tptt -63.85 -43.01 97.4 Favored 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.089 1.355 . . . . 0.0 112.967 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 59' ' ' THR . 12.6 mptt -55.08 -49.44 71.66 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.446 1.475 . . . . 0.0 111.429 171.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.61 -40.21 76.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 119.838 -1.789 . . . . 0.0 112.449 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.4 p -80.63 -25.2 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.255 0.622 . . . . 0.0 111.923 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.5 t -71.65 -34.73 70.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.775 -1.203 . . . . 0.0 112.157 172.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -48.1 -55.13 10.99 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.388 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -36.58 75.25 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -54.25 -23.79 16.21 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.98 -1.009 . . . . 0.0 112.504 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -117.49 -26.18 6.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -66.14 -47.29 74.57 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 121.858 2.117 . . . . 0.0 112.861 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.91 -36.22 64.72 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.066 1.346 . . . . 0.0 112.325 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -89.68 -59.67 2.14 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -103.27 -69.77 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -163.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.865 2.066 . . . . 0.0 113.282 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -86.98 108.27 18.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.899 1.28 . . . . 0.0 111.728 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -129.23 87.04 2.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.656 3.182 . . . . 0.0 108.835 -4.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -75.51 162.91 27.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.7 0.8 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.4 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 14.7 ttp180 -133.5 147.38 51.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.579 1.152 . . . . 0.0 111.823 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.6 mmt -123.05 9.21 9.29 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.48 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 58.2 m 51.16 -90.87 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.425 2.29 . . . . 0.0 114.581 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt -130.0 96.13 4.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.435 1.925 . . . . 0.0 110.287 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.49 -35.18 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.234 1.014 . . . . 0.0 110.588 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -1.22 57.59 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.262 1.411 . . . . 0.0 113.644 -170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.7 -71.33 0.58 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.447 1.499 . . . . 0.0 109.065 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.21 33.25 23.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.299 1.44 . . . . 0.0 114.286 -177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -56.96 165.02 1.36 Allowed 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 126.193 1.797 . . . . 0.0 112.013 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -37.14 -42.66 0.45 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.95 -31.7 56.79 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.192 -1.567 . . . . 0.0 113.798 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -93.22 8.41 40.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.074 2.549 . . . . 0.0 113.18 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.31 -10.98 60.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.346 1.459 . . . . 0.0 113.658 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.437 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -43.86 -31.05 0.76 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.733 1.213 . . . . 0.0 113.574 -175.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.4 tptp -47.79 -67.94 0.23 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.008 1.323 . . . . 0.0 113.512 165.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.507 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -67.33 -37.53 83.43 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.367 2.267 . . . . 0.0 109.773 -173.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -53.39 -47.58 69.4 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 129.478 3.111 . . . . 0.0 111.247 169.615 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.408 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.7 tm? -72.95 -45.8 56.05 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -59.01 -35.12 72.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.241 1.816 . . . . 0.0 114.655 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 pt -82.2 -28.97 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.872 0.76 . . . . 0.0 112.54 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -73.95 -30.94 62.81 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.7 pt -78.47 -172.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.513 1.125 . . . . 0.0 113.535 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -47.2 -44.22 22.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.58 2.352 . . . . 0.0 114.777 -171.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -155.43 160.19 40.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.613 1.565 . . . . 0.0 111.309 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.91 146.3 32.63 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 112.347 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' B' ' 34' ' ' LEU . 54.2 t80 -138.9 -35.05 0.58 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -167.14 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.88 -44.43 2.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.373 1.469 . . . . 0.0 112.957 164.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.37 -43.91 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 124.659 1.184 . . . . 0.0 112.11 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -57.39 -38.52 74.39 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.641 -0.662 . . . . 0.0 110.425 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' B' ' 30' ' ' TYR . 5.9 mt -62.0 -45.58 92.96 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.487 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.7 tp -54.36 -55.79 25.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.163 1.347 . . . . 0.0 112.054 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.3 t -66.52 -37.87 85.96 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 119.316 0.962 . . . . 0.0 111.795 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -61.84 -43.91 97.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.799 0.809 . . . . 0.0 110.766 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.68 -53.61 31.94 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.366 1.866 . . . . 0.0 110.853 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.63 -40.19 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 121.774 -0.579 . . . . 0.0 111.708 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.63 -26.25 62.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.636 -1.226 . . . . 0.0 113.277 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.91 -25.79 66.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.646 1.112 . . . . 0.0 111.799 171.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.15 -50.04 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.557 -1.339 . . . . 0.0 110.331 169.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.35 -45.62 75.81 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -170.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -121.4 -27.86 4.74 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.605 1.162 . . . . 0.0 113.279 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.79 -20.58 76.06 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 119.406 1.003 . . . . 0.0 113.105 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m 59.39 40.08 21.37 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.238 1.815 . . . . 0.0 113.505 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -64.42 129.88 41.61 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 162.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -161.93 118.47 2.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.714 1.205 . . . . 0.0 110.036 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 18.0 m -137.53 -155.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.015 1.726 . . . . 0.0 109.455 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -55.0 -179.51 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.749 1.219 . . . . 0.0 113.01 159.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 -7.08 1.25 Allowed Glycine 0 N--CA 1.472 1.086 0 O-C-N 120.003 -1.686 . . . . 0.0 116.992 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -43.23 -67.09 0.3 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.311 2.055 . . . . 0.0 112.296 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -67.56 -36.03 80.16 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -53.05 -54.12 40.07 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.776 1.23 . . . . 0.0 110.706 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.453 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.0 tptt -61.99 -44.09 97.47 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.651 1.58 . . . . 0.0 112.444 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.04 -47.17 71.88 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.488 1.495 . . . . 0.0 111.729 171.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.86 -37.38 70.24 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.314 -1.491 . . . . 0.0 113.167 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.4 p -84.99 -25.64 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.189 0.596 . . . . 0.0 112.569 178.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -70.1 -34.23 72.87 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.506 -1.371 . . . . 0.0 111.486 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.78 -59.54 2.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.185 173.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.69 84.19 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.16 -19.2 31.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.213 0.605 . . . . 0.0 112.389 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.44 -33.52 5.56 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 163.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -64.93 -48.82 72.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.974 1.261 . . . . 0.0 113.688 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -72.5 -34.14 67.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.862 1.265 . . . . 0.0 112.503 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.31 -57.79 2.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -159.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 124.901 1.28 . . . . 0.0 113.186 -170.435 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -75.24 -17.29 60.36 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -128.76 148.35 50.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.83 1.652 . . . . 0.0 111.174 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -126.03 168.07 14.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.032 1.733 . . . . 0.0 111.121 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -133.18 150.55 51.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.311 1.045 . . . . 0.0 113.579 -174.224 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -123.17 12.88 9.6 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m 47.4 -87.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.051 2.54 . . . . 0.0 115.385 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.34 114.28 12.8 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.289 2.313 . . . . 0.0 113.338 170.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.04 -35.25 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.575 1.55 . . . . 0.0 111.641 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.97 -1.35 35.65 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.102 1.334 . . . . 0.0 115.934 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -136.59 -51.27 0.69 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.181 1.491 . . . . 0.0 109.976 161.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.31 36.47 16.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 113.315 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.03 166.69 15.39 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.279 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -26.51 -50.22 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.54 -29.55 61.41 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.3 -1.5 . . . . 0.0 114.307 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -95.99 9.29 41.22 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.814 2.846 . . . . 0.0 113.208 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.03 -8.7 57.57 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 113.46 -171.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.6 pm0 -42.11 -32.35 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.926 1.691 . . . . 0.0 113.577 -177.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 tptp -50.35 -68.75 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.718 1.607 . . . . 0.0 112.774 166.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.52 -35.83 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.479 2.311 . . . . 0.0 109.787 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -54.9 -53.34 56.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 125.08 1.352 . . . . 0.0 108.44 167.263 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.16 -42.37 80.13 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -162.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 129.435 3.094 . . . . 0.0 116.838 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 pt -83.0 -28.74 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 120.108 1.322 . . . . 0.0 112.478 168.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.19 -34.49 56.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.285 1.034 . . . . 0.0 112.2 -171.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.489 HG13 ' H ' ' A' ' 27' ' ' ASN . 10.3 pt -57.94 -54.0 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.713 1.605 . . . . 0.0 114.049 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' H ' HG13 ' A' ' 26' ' ' ILE . 4.3 p30 -151.04 -66.05 0.19 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.307 1.843 . . . . 0.0 110.283 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -158.47 -38.16 0.06 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 168.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -155.1 146.33 22.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.659 1.118 . . . . 0.0 112.771 -170.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.547 ' CE2' HD21 ' A' ' 34' ' ' LEU . 59.2 t80 -160.93 -36.11 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.568 1.147 . . . . 0.0 113.948 172.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.33 -40.22 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.502 1.521 . . . . 0.0 113.123 167.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.5 HG21 HG21 ' B' ' 32' ' ' ILE . 8.9 mm -72.03 -34.59 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.56 -44.37 65.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 166.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 30' ' ' TYR . 2.9 mt -62.88 -48.35 79.39 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.966 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' C ' HD23 ' A' ' 35' ' ' LEU . 4.8 tt -53.49 -56.05 20.19 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.815 1.189 . . . . 0.0 110.498 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -66.51 -38.6 87.57 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 118.841 0.746 . . . . 0.0 111.526 -173.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -42.74 99.67 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.371 0.605 . . . . 0.0 110.745 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.0 -53.44 31.41 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.212 1.805 . . . . 0.0 111.018 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -58.59 -42.61 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 121.766 -0.584 . . . . 0.0 111.259 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.68 -25.26 61.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 118.86 -1.136 . . . . 0.0 113.663 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -65.0 -32.64 74.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.391 0.996 . . . . 0.0 110.972 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.11 -45.28 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 120.641 -1.287 . . . . 0.0 110.222 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -66.28 -47.52 73.38 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -124.05 -30.53 3.48 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.401 1.081 . . . . 0.0 113.546 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.23 -11.02 58.31 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.036 -1.04 . . . . 0.0 114.338 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.361 3.6 t 55.71 38.06 29.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.456 2.302 . . . . 0.0 114.923 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -61.27 144.82 53.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.157 0.983 . . . . 0.0 110.454 164.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -148.0 125.77 11.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.967 0.907 . . . . 0.0 111.943 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.32 170.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 127.53 2.332 . . . . 0.0 109.015 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -61.17 -171.53 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.813 1.645 . . . . 0.0 112.061 165.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.44 0.2 Allowed Glycine 0 N--CA 1.475 1.263 0 N-CA-C 118.037 1.975 . . . . 0.0 118.037 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -47.23 -66.0 0.47 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.689 1.745 . . . . 0.0 111.401 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -69.98 -34.6 73.57 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.235 -0.916 . . . . 0.0 113.097 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -51.38 -54.97 21.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.519 1.128 . . . . 0.0 110.01 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.4 tptt -61.82 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 117.186 -1.387 . . . . 0.0 112.306 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' O ' HG22 ' A' ' 59' ' ' THR . 12.3 mptt -54.98 -50.23 69.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.7 1.591 . . . . 0.0 111.605 173.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 pp -82.37 -20.22 37.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 119.535 -1.978 . . . . 0.0 115.102 -173.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.5 p -84.8 -27.01 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.625 0.648 . . . . 0.0 111.843 170.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.5 t -69.73 -31.66 69.77 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.69 -1.256 . . . . 0.0 112.276 171.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.6 -55.54 7.47 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -38.32 78.56 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.48 -18.56 11.81 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -116.86 -32.46 5.1 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 161.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.75 -45.84 92.77 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.299 1.863 . . . . 0.0 112.992 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -75.95 -38.27 57.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 112.651 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.24 -57.52 2.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.36 -40.59 6.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -158.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m120 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 113.045 -173.502 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.15 164.77 32.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.434 1.494 . . . . 0.0 112.266 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -150.88 165.0 34.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.262 1.425 . . . . 0.0 111.571 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -70.75 149.19 47.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.522 1.129 . . . . 0.0 111.597 169.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -123.67 153.93 40.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.606 1.962 . . . . 0.0 110.7 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.59 11.7 9.89 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.456 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.265 62.5 m 50.43 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.501 2.321 . . . . 0.0 115.719 -177.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.11 110.16 6.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 122.613 2.46 . . . . 0.0 113.416 170.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -86.4 -35.32 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.122 1.769 . . . . 0.0 111.941 -175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -1.36 31.82 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.934 1.254 . . . . 0.0 115.5 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.79 -59.56 0.51 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.754 1.221 . . . . 0.0 111.313 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 34.93 18.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.58 1.552 . . . . 0.0 114.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.84 166.08 9.62 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.747 176.003 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -30.2 -47.01 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.03 -30.67 62.54 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.374 -1.454 . . . . 0.0 114.212 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -98.78 12.07 36.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.893 2.877 . . . . 0.0 112.726 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -80.34 -8.56 59.55 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.839 -1.163 . . . . 0.0 113.755 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -41.85 -30.19 0.24 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.869 1.668 . . . . 0.0 114.4 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -52.34 -67.24 0.27 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.708 1.603 . . . . 0.0 112.654 166.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.463 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.52 -36.63 79.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 128.002 2.521 . . . . 0.0 109.391 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -53.62 53.6 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.939 1.296 . . . . 0.0 108.802 167.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.91 -45.7 70.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -160.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASN . . . . . 0.413 HD21 ' HE2' ' B' ' 19' ' ' LYS . 67.3 m-20 -52.74 -46.06 67.27 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 129.019 2.928 . . . . 0.0 115.975 174.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.02 -28.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.908 0.776 . . . . 0.0 111.605 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.4 -32.38 54.77 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.027 0.931 . . . . 0.0 112.914 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.47 HG13 ' H ' ' B' ' 27' ' ' ASN . 14.2 pt -77.34 -65.12 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -172.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.47 ' H ' HG13 ' B' ' 26' ' ' ILE . 70.5 m-80 -141.74 11.5 2.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.115 2.166 . . . . 0.0 111.584 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 66.33 151.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.854 2.861 . . . . 0.0 116.602 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 54.6 26.67 7.61 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 165.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -73.55 -29.96 62.77 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.043 -1.661 . . . . 0.0 115.303 -171.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 -31.77 35.15 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.334 -1.479 . . . . 0.0 113.848 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.5 HG21 HG21 ' A' ' 32' ' ' ILE . 1.8 mp -64.85 -34.68 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.29 -49.31 69.92 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.445 1.098 . . . . 0.0 109.189 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.44 -47.46 86.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.041 -1.457 . . . . 0.0 111.141 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -52.92 -53.82 43.88 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.913 1.688 . . . . 0.0 111.745 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -70.9 -35.67 72.39 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.434 1.016 . . . . 0.0 111.646 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -40.6 97.87 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.585 0.707 . . . . 0.0 111.051 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.84 -53.67 20.1 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 126.749 2.02 . . . . 0.0 110.497 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -57.77 -41.82 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.484 0.584 . . . . 0.0 111.5 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.16 -25.39 62.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.645 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.33 -27.69 68.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.771 1.169 . . . . 0.0 112.215 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.01 -51.79 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 120.468 -1.395 . . . . 0.0 109.975 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.95 -40.29 79.04 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -167.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 t -124.7 -28.67 3.52 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.514 1.125 . . . . 0.0 113.519 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.18 72.64 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.73 1.15 . . . . 0.0 112.994 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.56 45.99 18.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.47 1.908 . . . . 0.0 113.368 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -57.65 140.83 50.23 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.481 -0.762 . . . . 0.0 110.6 163.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -152.99 115.42 4.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.084 1.354 . . . . 0.0 110.1 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.52 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.68 164.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.321 1.848 . . . . 0.0 109.489 -177.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -76.24 60.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.111 2.564 . . . . 0.0 114.505 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.86 69.69 Favored Glycine 0 N--CA 1.468 0.806 0 C-N-CA 127.448 2.451 . . . . 0.0 115.149 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.22 -61.08 2.87 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.057 1.928 . . . . 0.0 110.393 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.52 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.0 t -61.83 -36.29 80.76 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.975 -1.078 . . . . 0.0 113.201 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -55.41 -55.74 28.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.887 1.275 . . . . 0.0 111.107 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.519 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.3 tptt -60.72 -41.43 95.27 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.229 1.411 . . . . 0.0 112.556 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.88 98.46 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.697 1.59 . . . . 0.0 111.929 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.83 -42.97 84.96 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 120.024 -1.672 . . . . 0.0 112.616 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.4 p -82.69 -24.38 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.221 0.608 . . . . 0.0 112.218 -177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.37 -34.66 68.12 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.892 -1.13 . . . . 0.0 112.345 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -46.95 -56.77 5.81 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.291 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 118.849 0.75 . . . . 0.0 112.339 175.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.08 -19.41 31.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.917 0.887 . . . . 0.0 113.2 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.252 24.4 mtt180 -117.18 -32.23 5.07 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 158.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.2 -46.66 87.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.036 1.743 . . . . 0.0 113.605 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -75.65 -38.22 59.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.081 1.352 . . . . 0.0 112.719 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -87.76 -55.87 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.587 1.555 . . . . 0.0 115.078 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -104.29 -78.17 0.56 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.395 1.878 . . . . 0.0 113.443 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.531 2.332 . . . . 0.0 112.435 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -93.0 -9.01 41.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -129.82 25.85 5.29 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.171 1.389 . . . . 0.0 112.76 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm -57.26 114.12 2.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 -169.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 3.8 ttp180 -71.29 152.69 43.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.846 1.258 . . . . 0.0 112.716 -169.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -120.65 8.04 10.6 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.489 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 51.1 m 50.93 -91.67 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.421 2.288 . . . . 0.0 114.997 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -131.96 96.36 3.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 121.395 1.907 . . . . 0.0 111.044 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.4 -33.84 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.068 1.347 . . . . 0.0 111.477 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.76 1.81 52.58 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.542 1.544 . . . . 0.0 115.425 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -135.79 -50.82 0.72 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.259 1.53 . . . . 0.0 110.072 160.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.73 36.61 18.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.459 1.504 . . . . 0.0 113.473 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.65 168.28 13.44 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.49 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -28.11 -49.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.27 -29.04 57.29 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.293 -1.504 . . . . 0.0 114.273 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -94.62 7.96 43.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.628 2.771 . . . . 0.0 113.188 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.51 -9.49 58.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.725 -1.235 . . . . 0.0 113.514 -170.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -45.0 -27.87 0.6 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.173 1.389 . . . . 0.0 113.845 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -49.29 -71.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.808 1.643 . . . . 0.0 113.467 163.123 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.1 mm? -67.67 -36.62 81.05 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.531 2.332 . . . . 0.0 109.698 -172.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -51.39 -48.96 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 129.944 3.297 . . . . 0.0 111.306 166.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.88 -41.38 62.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 117.554 -1.659 . . . . 0.0 107.927 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.57 -34.29 76.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.332 1.853 . . . . 0.0 114.396 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.4 pt -80.22 -28.45 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.317 0.962 . . . . 0.0 112.737 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -72.45 -32.92 66.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.566 0.746 . . . . 0.0 112.582 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -81.69 -173.43 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.059 1.343 . . . . 0.0 113.653 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -64.56 -28.64 69.78 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -170.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -148.08 148.15 30.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.431 1.092 . . . . 0.0 112.471 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.97 73.84 1.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.565 1.946 . . . . 0.0 112.376 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' A' ' 34' ' ' LEU . 55.8 t80 -60.25 -30.39 69.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -165.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.06 -41.52 7.7 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.444 -1.41 . . . . 0.0 113.353 168.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.01 -39.72 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.252 -0.905 . . . . 0.0 111.489 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.78 -39.32 68.29 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.687 -0.633 . . . . 0.0 110.478 170.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mt -64.45 -46.98 80.76 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 117.195 -1.383 . . . . 0.0 110.788 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.4 tp -51.59 -56.12 15.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.409 1.459 . . . . 0.0 111.642 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -67.08 -38.89 86.52 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 121.381 0.61 . . . . 0.0 111.804 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -60.06 -44.79 94.47 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.565 0.697 . . . . 0.0 110.96 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.93 -55.49 14.37 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.869 2.068 . . . . 0.0 110.741 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.64 -43.15 82.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.882 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.49 -29.16 64.5 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 118.574 -1.25 . . . . 0.0 113.643 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.06 -23.18 63.04 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.191 -0.943 . . . . 0.0 111.532 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.55 -46.52 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 120.909 -1.119 . . . . 0.0 109.955 172.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -66.57 -47.83 71.56 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.256 1.022 . . . . 0.0 113.705 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -121.75 -28.93 4.43 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.304 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.93 -19.79 75.61 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 113.598 171.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 56.97 45.06 21.87 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.533 1.933 . . . . 0.0 114.048 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -57.48 143.32 41.03 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.277 -0.889 . . . . 0.0 110.277 160.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -144.25 122.05 11.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.262 1.025 . . . . 0.0 111.844 -174.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -164.43 171.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 127.607 2.363 . . . . 0.0 108.922 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.27 -170.77 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.353 1.861 . . . . 0.0 113.524 162.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.6 -6.38 0.47 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 117.458 1.743 . . . . 0.0 117.458 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -47.93 -64.41 0.8 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.913 1.856 . . . . 0.0 111.504 169.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 t -66.69 -36.64 82.99 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.888 -1.132 . . . . 0.0 113.094 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -52.22 -56.17 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.677 1.191 . . . . 0.0 110.209 170.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -60.51 -45.12 94.96 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-O 116.705 -1.617 . . . . 0.0 112.47 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.585 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -51.81 -53.24 42.35 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.004 1.729 . . . . 0.0 111.768 171.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.25 -18.02 43.93 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 119.908 -1.745 . . . . 0.0 115.011 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.7 p -89.07 -26.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.592 0.633 . . . . 0.0 112.027 169.242 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.7 t -67.7 -30.01 69.41 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.508 -1.37 . . . . 0.0 112.089 171.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.93 -57.05 4.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.151 167.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -36.7 77.7 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.651 0.659 . . . . 0.0 112.072 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.0 -19.73 5.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -123.43 -26.63 4.21 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 162.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -65.39 -45.38 84.22 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.743 1.611 . . . . 0.0 112.987 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.9 -37.51 64.64 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.906 -1.121 . . . . 0.0 112.159 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.42 -60.5 1.82 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -102.67 -37.12 8.06 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -157.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.704 2.002 . . . . 0.0 112.211 -177.169 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -75.33 168.9 19.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.889 1.276 . . . . 0.0 113.119 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -139.47 165.86 26.1 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.408 1.483 . . . . 0.0 111.845 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 151.58 47.06 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 112.343 176.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -139.59 145.9 39.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.387 1.475 . . . . 0.0 110.98 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.08 8.79 11.64 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.453 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 56.2 m 50.87 -92.02 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.204 2.202 . . . . 0.0 114.269 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.83 95.46 3.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.991 1.723 . . . . 0.0 110.398 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -76.13 -34.42 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.97 0.908 . . . . 0.0 110.89 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.31 7.65 56.95 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.858 1.218 . . . . 0.0 113.957 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -139.65 -65.9 0.46 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.836 1.654 . . . . 0.0 110.511 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER 47.85 35.65 5.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.45 1.9 . . . . 0.0 114.441 -177.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -63.8 171.88 2.51 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 126.27 1.828 . . . . 0.0 112.467 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -39.66 -41.26 1.04 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.169 2.285 . . . . 0.0 117.169 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.15 -33.61 43.94 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.407 -1.433 . . . . 0.0 113.787 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.8 11.14 25.71 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.332 2.253 . . . . 0.0 113.052 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.2 -10.34 58.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.879 1.672 . . . . 0.0 114.353 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -41.92 -33.42 0.54 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.005 1.722 . . . . 0.0 113.676 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 1.3 tptp -48.55 -69.69 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.349 1.86 . . . . 0.0 113.029 165.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.575 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -67.41 -37.31 82.89 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.417 1.887 . . . . 0.0 109.843 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -53.94 -51.8 62.66 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 125.065 1.346 . . . . 0.0 108.561 169.191 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.442 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.1 tm? -68.74 -44.82 73.0 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -165.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.92 -37.48 68.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 128.187 2.595 . . . . 0.0 115.409 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -81.34 -27.26 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.348 0.976 . . . . 0.0 112.791 172.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -76.4 -31.66 58.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.409 1.083 . . . . 0.0 112.702 -176.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.4 pt -76.17 -176.43 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.981 1.312 . . . . 0.0 113.37 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -61.21 -28.88 69.46 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -150.38 144.03 25.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.512 1.125 . . . . 0.0 112.008 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.0 146.22 55.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.277 1.031 . . . . 0.0 111.939 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' TYR . . . . . 0.516 ' CE2' HD21 ' B' ' 34' ' ' LEU . 46.3 t80 -142.21 -36.05 0.42 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -160.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.21 -45.04 5.51 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.051 1.341 . . . . 0.0 113.068 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.23 -40.2 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.506 1.122 . . . . 0.0 112.094 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.16 -43.39 67.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 171.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.516 HD21 ' CE2' ' B' ' 30' ' ' TYR . 5.7 mt -61.89 -47.34 85.41 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.377 174.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 tp -52.0 -56.35 14.83 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.842 1.201 . . . . 0.0 112.112 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -68.36 -38.66 81.63 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.913 0.778 . . . . 0.0 111.464 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 t -61.28 -43.93 98.07 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.522 0.677 . . . . 0.0 110.718 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.29 -56.39 12.98 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.341 1.856 . . . . 0.0 110.763 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.77 -43.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.097 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.91 -29.27 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -69.88 -24.82 63.47 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.502 1.046 . . . . 0.0 111.139 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.1 -46.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.918 -1.113 . . . . 0.0 110.139 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.4 -46.48 69.88 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -172.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.6 t -120.62 -30.67 4.45 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.542 1.137 . . . . 0.0 113.192 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.81 -13.88 69.61 Favored Glycine 0 CA--C 1.541 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 114.248 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.307 74.4 p 52.46 39.91 28.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.36 2.264 . . . . 0.0 115.648 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -55.61 145.86 22.29 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.4 -0.813 . . . . 0.0 110.54 159.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -146.28 127.35 14.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.501 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.13 170.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 127.389 2.276 . . . . 0.0 109.009 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.17 -170.86 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.674 1.59 . . . . 0.0 111.822 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.67 -7.01 0.13 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 44.5 m -46.62 -67.63 0.26 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.723 1.762 . . . . 0.0 111.854 170.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -67.19 -35.25 79.25 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.096 -1.003 . . . . 0.0 113.021 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -52.31 -54.92 25.35 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 110.109 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.4 tptt -62.91 -42.81 99.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 124.748 1.219 . . . . 0.0 112.48 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.622 ' O ' HG22 ' B' ' 59' ' ' THR . 12.8 mptt -53.53 -53.01 57.67 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.467 1.485 . . . . 0.0 111.704 171.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.82 -20.33 39.3 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 119.68 -1.888 . . . . 0.0 114.838 -173.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.9 p -85.82 -26.36 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.68 0.673 . . . . 0.0 111.91 169.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.622 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.8 t -68.04 -32.8 73.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.584 -1.322 . . . . 0.0 111.356 171.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.68 -57.02 4.56 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.485 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -38.07 80.14 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.34 -18.0 9.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.326 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -121.86 -26.21 4.86 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 159.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.01 -47.52 82.75 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.381 1.901 . . . . 0.0 112.46 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -73.37 -35.82 65.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.303 1.441 . . . . 0.0 112.235 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -87.42 -60.48 1.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -176.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.06 -41.21 4.76 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -162.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -168.581 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -71.87 -17.43 62.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -151.0 171.93 16.51 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.693 1.597 . . . . 0.0 111.027 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.4 143.67 44.69 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.666 -0.646 . . . . 0.0 110.666 163.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 36.6 ttp180 -130.22 142.96 50.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.371 1.469 . . . . 0.0 110.821 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.4 mmt -124.66 73.41 1.26 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.78 0.8 . . . . 0.0 109.37 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.436 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 20.2 m -53.73 124.01 13.95 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.016 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' H ' ' HE2' ' A' ' 19' ' ' LYS 0.482 0.0 OUTLIER 35.69 67.54 0.28 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.284 3.434 . . . . 0.0 117.273 177.804 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 9' ' ' ILE . 1.3 mt -62.28 -30.29 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 169.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.09 5.03 57.44 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.089 0.852 . . . . 0.0 114.705 -167.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -140.83 -73.32 0.34 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.231 1.412 . . . . 0.0 111.233 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.11 47.29 19.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.764 2.026 . . . . 0.0 115.836 172.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -130.06 139.09 51.03 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -174.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.356 2.8 t 49.32 -84.15 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 129.819 3.247 . . . . 0.0 113.212 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 -29.11 70.22 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.226 1.01 . . . . 0.0 112.736 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -105.36 6.86 33.01 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 0.0 112.867 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.77 -15.03 61.07 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.94 -28.36 0.66 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.2 tptt -48.9 -70.67 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.107 1.763 . . . . 0.0 113.698 163.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.6 mm? -68.04 -34.69 76.96 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 126.302 1.841 . . . . 0.0 110.331 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -52.55 -47.87 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 128.909 2.884 . . . . 0.0 110.936 168.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.73 -39.88 63.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.016 -1.874 . . . . 0.0 108.364 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 19' ' ' LYS . 89.3 m-20 -64.44 -22.44 66.96 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -91.33 -27.16 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.94 1.245 . . . . 0.0 112.703 167.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.85 -29.51 65.66 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.069 0.947 . . . . 0.0 112.497 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.1 pt -81.97 -173.91 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.249 1.42 . . . . 0.0 113.494 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -60.45 -37.4 80.81 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.267 1.827 . . . . 0.0 115.731 -172.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -145.38 150.97 37.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 112.574 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.55 89.21 0.52 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.102 1.761 . . . . 0.0 112.575 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.55 -32.87 58.46 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -161.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.0 55.1 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CG2' ' B' ' 32' ' ' ILE . 40.7 mm -74.42 -22.07 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 120.889 -1.132 . . . . 0.0 113.184 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.49 -41.9 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.632 -1.293 . . . . 0.0 110.177 171.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.38 -43.49 98.78 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.546 1.138 . . . . 0.0 111.093 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD13 ' HG ' ' A' ' 60' ' ' LEU . 48.4 tp -53.19 -51.58 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.153 1.342 . . . . 0.0 111.238 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 m -65.0 -43.69 91.72 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 119.172 0.896 . . . . 0.0 111.988 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.1 p -61.82 -38.74 89.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.248 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.18 -52.67 13.28 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 126.086 1.755 . . . . 0.0 111.422 -174.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.88 -42.27 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 121.609 -0.682 . . . . 0.0 110.933 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.92 -27.32 61.8 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 118.492 -1.283 . . . . 0.0 113.342 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -67.87 -22.73 65.1 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.021 -1.049 . . . . 0.0 111.71 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.14 -47.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.579 -1.325 . . . . 0.0 110.43 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.55 -47.42 75.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 0.0 113.508 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -118.6 -33.06 4.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.609 1.164 . . . . 0.0 112.868 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -19.33 71.88 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 121.184 -0.948 . . . . 0.0 113.739 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.78 41.62 21.35 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.629 1.972 . . . . 0.0 114.272 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.41 145.19 56.47 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.073 -1.017 . . . . 0.0 110.821 161.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -150.67 137.1 18.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.392 1.077 . . . . 0.0 112.423 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.501 HG13 ' H ' ' A' ' 53' ' ' THR . 3.0 p -163.42 164.87 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 127.203 2.201 . . . . 0.0 109.545 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.65 -22.83 64.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -163.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.06 -11.46 0.03 OUTLIER Glycine 0 N--CA 1.467 0.719 0 C-N-CA 124.818 1.199 . . . . 0.0 114.185 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -49.88 -58.2 5.89 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.819 1.248 . . . . 0.0 110.691 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.501 ' H ' HG13 ' A' ' 49' ' ' VAL . 9.9 t -65.49 -44.33 87.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.261 -0.899 . . . . 0.0 112.531 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -47.09 -53.17 13.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.97 0.908 . . . . 0.0 110.655 172.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.8 tptt -60.64 -43.6 97.37 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.666 1.586 . . . . 0.0 112.369 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' HD23 ' A' ' 60' ' ' LEU . 2.1 mptm? -57.62 -52.07 66.92 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.704 1.593 . . . . 0.0 111.717 172.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -70.28 -34.42 72.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 119.605 -1.934 . . . . 0.0 111.553 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.1 p -78.83 -30.65 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.27 0.628 . . . . 0.0 112.548 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 t -71.94 -35.51 69.62 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.276 -1.515 . . . . 0.0 111.966 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 56' ' ' LYS . 2.1 mm? -46.32 -59.73 2.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.458 1.103 . . . . 0.0 110.048 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -40.33 82.59 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.513 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.46 -15.17 24.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.547 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -112.09 -32.3 6.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 159.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -67.4 -44.87 77.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 121.583 1.992 . . . . 0.0 113.868 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -73.64 -31.0 63.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.868 1.267 . . . . 0.0 112.685 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -101.77 -65.07 1.0 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -92.93 -41.46 10.01 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -163.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.988 1.315 . . . . 0.0 113.141 -171.617 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -67.67 149.94 49.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.486 1.114 . . . . 0.0 113.133 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -74.83 167.3 22.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.212 1.005 . . . . 0.0 112.772 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 99.5 mmm -78.85 151.93 31.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.499 1.12 . . . . 0.0 111.865 167.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 17.1 ttp180 -129.23 152.77 48.44 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.427 1.891 . . . . 0.0 111.361 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -121.12 11.66 10.95 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.488 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.257 49.1 m 48.13 -90.97 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.218 2.207 . . . . 0.0 115.458 -178.241 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 90.67 2.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 121.699 2.045 . . . . 0.0 112.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -72.02 -31.2 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 110.894 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.67 4.79 65.31 Favored Glycine 0 CA--C 1.545 1.949 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.64 -63.76 0.61 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.556 1.178 . . . . 0.0 111.236 168.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.28 31.38 11.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -62.21 168.21 3.55 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 124.851 1.26 . . . . 0.0 111.543 175.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.1 t -33.66 -47.55 0.24 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -72.13 -34.32 68.48 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.392 -1.443 . . . . 0.0 113.724 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -94.71 11.9 29.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.358 2.663 . . . . 0.0 112.875 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.55 -9.4 59.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 113.465 -171.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -44.37 -27.47 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.103 1.361 . . . . 0.0 114.502 -177.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.3 tptp -50.9 -69.47 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.639 1.575 . . . . 0.0 113.673 163.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.486 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -67.93 -39.01 83.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 127.505 2.322 . . . . 0.0 109.327 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -47.66 -49.86 26.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 130.084 3.354 . . . . 0.0 111.513 165.799 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.81 -43.76 57.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 118.107 -1.437 . . . . 0.0 108.608 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.08 -33.56 72.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.217 1.807 . . . . 0.0 114.058 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 pt -82.97 -28.65 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.65 -33.62 69.06 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 112.518 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 pt -77.53 -178.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 124.548 1.139 . . . . 0.0 113.522 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -63.79 -29.03 70.28 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 -167.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -147.86 156.56 42.83 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.426 1.09 . . . . 0.0 112.412 168.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -62.13 149.74 40.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.97 1.308 . . . . 0.0 112.147 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -137.4 -42.47 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -170.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.31 -43.37 0.79 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.918 1.687 . . . . 0.0 113.908 168.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.424 ' CG2' HG21 ' A' ' 32' ' ' ILE . 2.0 mp -66.98 -39.84 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.284 1.034 . . . . 0.0 112.113 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.65 -38.75 75.62 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.238 -0.914 . . . . 0.0 110.19 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.03 -45.22 94.55 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.542 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.29 -53.79 32.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.767 1.621 . . . . 0.0 111.256 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.4 -39.7 95.21 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.336 1.065 . . . . 0.0 113.03 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -41.82 99.01 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.667 1.222 . . . . 0.0 111.446 177.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.58 -54.4 16.81 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.923 2.089 . . . . 0.0 110.558 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -58.5 -40.53 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 O-C-N 121.658 -0.651 . . . . 0.0 111.566 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -70.57 -27.1 63.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.082 175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -63.59 -31.39 72.54 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.601 1.091 . . . . 0.0 112.047 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.4 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.6 mp -76.32 -51.81 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 120.333 -1.479 . . . . 0.0 110.515 169.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -66.72 -39.48 88.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.941 1.296 . . . . 0.0 113.797 -167.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -133.56 -23.14 1.87 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.609 1.164 . . . . 0.0 113.805 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.16 -21.69 73.95 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 119.656 1.117 . . . . 0.0 112.134 167.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 59.32 48.69 9.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.528 1.931 . . . . 0.0 112.797 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -51.56 131.62 29.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.598 -0.689 . . . . 0.0 109.834 163.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -139.53 33.34 2.05 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.483 1.513 . . . . 0.0 113.157 -167.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -89.48 170.72 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 127.403 2.281 . . . . 0.0 110.627 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.81 -170.38 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.753 2.021 . . . . 0.0 112.916 162.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.28 -7.4 0.36 Allowed Glycine 0 N--CA 1.472 1.062 0 N-CA-C 118.027 1.971 . . . . 0.0 118.027 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -47.51 -65.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.401 2.101 . . . . 0.0 111.688 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.3 t -68.08 -33.32 74.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.056 -1.027 . . . . 0.0 113.054 -175.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -55.41 -53.32 57.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.492 1.117 . . . . 0.0 110.24 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.458 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.3 tptt -60.5 -43.35 97.12 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 125.6 1.56 . . . . 0.0 111.997 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.52 -43.31 89.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.228 1.376 . . . . 0.0 112.236 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.31 -42.66 71.69 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.495 -1.378 . . . . 0.0 112.509 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.1 p -79.8 -29.16 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.205 0.602 . . . . 0.0 112.095 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -70.54 -33.37 71.08 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.77 -1.207 . . . . 0.0 112.251 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -58.97 3.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.014 174.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -35.86 81.33 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.73 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -58.97 -18.89 38.18 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -114.68 -24.62 8.65 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 159.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -75.03 -48.73 22.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 122.071 2.214 . . . . 0.0 113.332 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -67.2 -30.88 70.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.993 1.317 . . . . 0.0 112.351 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -97.99 -61.01 1.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.12 -40.32 5.24 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -155.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.966 2.106 . . . . 0.0 111.889 -178.426 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -146.93 160.49 42.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.086 1.354 . . . . 0.0 111.767 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -155.2 174.52 15.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.723 1.609 . . . . 0.0 111.748 -174.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.75 148.49 36.67 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.061 0.945 . . . . 0.0 111.485 164.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.1 ttp180 -128.18 155.32 44.67 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.189 1.795 . . . . 0.0 111.046 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -123.63 10.68 9.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.51 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 68.7 m 48.71 -82.27 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.942 2.497 . . . . 0.0 116.272 -177.458 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.3 109.11 6.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 122.268 2.304 . . . . 0.0 113.468 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -88.66 -35.19 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.112 1.765 . . . . 0.0 111.835 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.62 -5.38 26.21 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.398 1.319 . . . . 0.0 116.398 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -139.88 -44.07 0.43 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.491 1.645 . . . . 0.0 111.535 167.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.32 40.2 10.19 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.171 2.188 . . . . 0.0 115.183 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.17 171.05 15.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.072 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -24.46 -52.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.92 -22.31 42.88 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.154 -1.591 . . . . 0.0 114.149 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -100.38 8.68 43.48 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.242 3.017 . . . . 0.0 112.945 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -75.52 -12.39 60.22 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.787 -1.195 . . . . 0.0 113.629 -170.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -44.41 -28.29 0.54 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.558 1.543 . . . . 0.0 114.106 -172.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -50.89 -71.29 0.07 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.87 1.668 . . . . 0.0 113.676 163.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.579 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -66.63 -35.15 79.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.028 2.131 . . . . 0.0 109.747 -173.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -52.08 -48.05 64.88 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 129.462 3.105 . . . . 0.0 111.574 167.124 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -73.34 -40.56 64.35 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.651 -1.62 . . . . 0.0 108.825 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -66.58 -18.13 65.2 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.414 1.885 . . . . 0.0 114.943 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -95.38 -27.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.027 0.931 . . . . 0.0 113.134 165.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.37 -29.92 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.379 1.072 . . . . 0.0 112.377 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 pt -82.8 -174.36 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.243 1.417 . . . . 0.0 113.519 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -65.51 -29.18 69.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -150.0 158.32 44.04 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.428 1.013 . . . . 0.0 113.331 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.82 98.28 0.53 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.45 1.5 . . . . 0.0 112.11 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.678 ' CE2' HD11 ' A' ' 34' ' ' LEU . 68.2 t80 -86.0 -34.3 20.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -163.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -42.47 -35.11 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.055 2.142 . . . . 0.0 114.715 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.48 -35.03 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 O-C-N 121.239 -0.913 . . . . 0.0 112.255 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.87 -42.95 85.6 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 120.641 -1.287 . . . . 0.0 110.032 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 30' ' ' TYR . 4.9 mp -59.75 -51.16 70.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.499 -1.239 . . . . 0.0 109.679 172.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -49.35 -55.42 12.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.699 1.136 . . . . 0.0 111.959 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -66.43 -41.65 88.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.601 0.637 . . . . 0.0 111.58 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -42.12 93.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.273 1.035 . . . . 0.0 110.773 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' HB3' HD11 ' A' ' 57' ' ' LEU . 27.0 mm-40 -73.04 -52.26 15.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.02 1.728 . . . . 0.0 110.737 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 57' ' ' LEU . 2.0 pp -58.24 -40.75 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.9 . . . . 0.0 111.637 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.07 -26.8 62.31 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.854 -1.138 . . . . 0.0 113.267 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -66.45 -23.93 66.35 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.541 1.064 . . . . 0.0 111.79 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.09 -50.74 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 120.463 -1.398 . . . . 0.0 110.329 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.79 -45.87 80.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.159 0.983 . . . . 0.0 113.608 -170.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -118.32 -31.31 5.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.545 1.138 . . . . 0.0 112.993 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.41 -15.8 75.25 Favored Glycine 0 CA--C 1.54 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 114.14 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.309 77.2 p 54.11 44.49 29.14 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.037 2.135 . . . . 0.0 115.282 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.48 139.57 57.96 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.534 -0.728 . . . . 0.0 110.6 159.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -150.45 137.73 19.51 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.717 1.607 . . . . 0.0 110.297 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -164.84 161.66 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 126.281 1.832 . . . . 0.0 110.221 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -77.05 65.57 2.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.614 2.366 . . . . 0.0 115.157 -168.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.93 -12.14 62.75 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 127.652 2.548 . . . . 0.0 115.026 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.6 m -59.88 -58.5 8.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.232 1.516 . . . . 0.0 110.063 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.581 ' H ' HG13 ' A' ' 49' ' ' VAL . 10.9 t -64.29 -38.66 91.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.122 -0.986 . . . . 0.0 113.217 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -50.21 -56.52 10.75 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.091 0.956 . . . . 0.0 110.21 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.0 tptt -60.85 -43.9 97.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 124.94 1.296 . . . . 0.0 112.845 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 59' ' ' THR . 1.3 mptm? -60.93 -44.84 96.64 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.918 1.69 . . . . 0.0 112.247 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 39' ' ' ILE . 3.3 mm? -81.23 -26.47 35.84 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 119.921 -1.737 . . . . 0.0 113.695 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.2 p -77.87 -29.03 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 119.297 0.953 . . . . 0.0 111.832 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.4 t -72.49 -32.97 66.62 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.307 -1.496 . . . . 0.0 112.32 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.87 -55.83 6.18 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.094 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -40.31 78.36 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.72 -15.99 14.55 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.641 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -111.22 -36.57 5.56 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 160.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.909 1.686 . . . . 0.0 112.855 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -73.59 -34.17 64.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.675 1.59 . . . . 0.0 112.273 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.13 -63.16 1.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -87.17 -44.26 11.62 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -164.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.405 1.482 . . . . 0.0 113.088 -171.323 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p -77.92 158.86 29.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.754 1.222 . . . . 0.0 113.1 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.404 ' HB2' ' H ' ' B' ' 5' ' ' ARG . 5.5 p-80 -79.97 156.94 26.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.74 31.25 6.85 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.821 1.248 . . . . 0.0 113.032 156.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.574 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 51.5 ttp180 -57.79 149.89 21.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.146 2.579 . . . . 0.0 112.519 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -126.61 59.58 1.36 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.722 0.772 . . . . 0.0 112.354 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.1 m -66.66 109.16 2.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.24 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -130.38 139.05 50.66 Favored 'General case' 0 CA--C 1.536 0.412 1 C-N-CA 135.814 5.645 . . . . 0.0 107.003 -6.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -89.94 -30.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.393 0.677 . . . . 0.0 112.46 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.98 6.85 63.04 Favored Glycine 0 CA--C 1.545 1.908 0 C-N-CA 124.498 1.047 . . . . 0.0 114.383 -171.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.53 -65.41 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.441 1.496 . . . . 0.0 110.604 167.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.42 34.09 17.38 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.379 1.472 . . . . 0.0 114.017 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.45 166.99 2.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.156 1.782 . . . . 0.0 111.723 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -37.67 -43.0 0.6 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -173.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -31.95 51.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.21 -1.556 . . . . 0.0 113.79 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -91.39 8.49 35.97 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.941 2.496 . . . . 0.0 113.113 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.17 -10.77 59.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 113.879 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.45 -28.91 0.62 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.231 1.412 . . . . 0.0 114.213 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.574 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.7 tptt -48.29 -70.34 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.568 1.547 . . . . 0.0 112.338 164.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.559 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.6 -36.92 79.35 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.741 2.416 . . . . 0.0 110.107 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -52.21 66.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.132 1.373 . . . . 0.0 108.433 169.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -38.83 69.85 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 115.905 -2.318 . . . . 0.0 106.618 -164.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -54.75 -34.76 62.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.117 2.167 . . . . 0.0 116.201 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.4 pt -81.44 -27.19 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 121.909 2.14 . . . . 0.0 112.654 169.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -78.72 -31.61 46.48 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.43 1.092 . . . . 0.0 113.178 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.6 pt -77.74 -169.05 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 125.036 1.334 . . . . 0.0 113.38 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -49.2 -42.89 41.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.628 2.371 . . . . 0.0 114.782 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -155.03 161.48 41.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.428 1.491 . . . . 0.0 111.846 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.15 144.39 45.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.349 1.06 . . . . 0.0 111.924 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -140.35 -32.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -167.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.03 -40.22 60.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.546 1.521 . . . . 0.0 112.255 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.4 -40.36 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.388 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -59.23 -41.11 87.91 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.364 -0.835 . . . . 0.0 110.742 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.42 -40.77 96.41 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 116.353 -1.784 . . . . 0.0 111.592 171.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.9 tp -54.29 -55.43 28.39 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 121.187 1.812 . . . . 0.0 111.081 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.0 t -66.54 -37.39 84.88 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 121.879 0.847 . . . . 0.0 111.904 -176.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t -61.28 -45.51 94.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.638 0.732 . . . . 0.0 110.729 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.32 -50.25 41.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.822 2.049 . . . . 0.0 111.838 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.1 -40.74 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 121.503 -0.748 . . . . 0.0 111.188 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.69 -25.18 61.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 118.681 -1.208 . . . . 0.0 113.966 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.26 -28.62 70.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.274 0.943 . . . . 0.0 111.459 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.95 -51.58 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.706 -1.246 . . . . 0.0 110.824 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.78 -39.01 92.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.658 1.183 . . . . 0.0 113.547 -168.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -127.67 -32.47 2.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.67 1.188 . . . . 0.0 113.647 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.36 -22.22 72.8 Favored Glycine 0 CA--C 1.535 1.33 0 O-C-N 121.0 -1.062 . . . . 0.0 113.01 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m 54.41 47.36 23.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.334 1.854 . . . . 0.0 112.806 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.86 -66.07 0.28 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.569 2.348 . . . . 0.0 113.721 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 50.03 46.64 24.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.474 2.31 . . . . 0.0 114.964 164.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.14 -163.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.251 1.02 . . . . 0.0 110.458 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.95 -178.69 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 162.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.35 -7.14 0.79 Allowed Glycine 0 N--CA 1.471 1.0 0 O-C-N 119.929 -1.732 . . . . 0.0 117.395 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -46.92 -64.06 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.662 2.231 . . . . 0.0 111.81 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.4 t -66.23 -35.25 79.93 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.976 -1.078 . . . . 0.0 112.617 -174.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -56.26 -55.47 32.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.045 1.338 . . . . 0.0 110.688 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.468 ' HA ' HG12 ' B' ' 58' ' ' VAL . 24.3 tptt -60.93 -43.36 98.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 125.833 1.653 . . . . 0.0 112.295 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -56.69 -44.93 81.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.359 1.436 . . . . 0.0 111.834 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.98 -39.26 72.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 119.74 -1.85 . . . . 0.0 113.243 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.9 p -82.68 -25.22 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.972 0.509 . . . . 0.0 112.167 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.758 -1.214 . . . . 0.0 112.024 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.89 -59.26 2.92 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.457 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -37.76 84.39 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.87 -24.37 15.72 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 118.147 -0.93 . . . . 0.0 112.435 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -117.24 -27.87 6.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 166.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -66.37 -43.89 84.66 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 121.184 1.811 . . . . 0.0 112.982 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -75.28 -33.9 61.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.338 1.055 . . . . 0.0 112.467 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.47 -63.2 1.15 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -99.75 -42.7 6.73 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -160.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.355 1.862 . . . . 0.0 113.19 -175.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -67.59 157.66 33.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.749 1.219 . . . . 0.0 113.389 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -140.94 167.44 22.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.198 1.399 . . . . 0.0 111.527 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.4 mtm -73.95 76.23 1.67 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.859 1.264 . . . . 0.0 111.402 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.6 ttp180 -62.18 151.31 36.34 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.515 1.126 . . . . 0.0 110.781 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -117.87 9.56 12.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.542 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 71.9 m 44.86 -88.02 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.162 2.585 . . . . 0.0 115.266 -176.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -126.97 90.39 3.14 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 121.04 1.746 . . . . 0.0 110.608 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.7 -39.36 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.516 -0.74 . . . . 0.0 110.45 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.72 6.78 54.28 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 124.598 1.094 . . . . 0.0 113.992 -169.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.87 -64.36 0.48 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.275 1.43 . . . . 0.0 110.621 168.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.05 34.11 16.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.436 1.494 . . . . 0.0 114.282 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 165.07 6.68 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.258 1.423 . . . . 0.0 111.218 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -32.99 -45.15 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.718 2.488 . . . . 0.0 117.718 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.67 -32.08 60.01 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.097 -1.627 . . . . 0.0 113.812 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -93.36 4.75 53.46 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.195 2.598 . . . . 0.0 113.102 174.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.7 -10.88 60.05 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.474 1.51 . . . . 0.0 114.293 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -43.5 -28.06 0.33 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.037 1.735 . . . . 0.0 114.834 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.5 tptp -50.64 -69.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.983 1.713 . . . . 0.0 112.734 163.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.535 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.13 -36.78 77.83 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.866 2.466 . . . . 0.0 109.555 -173.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -51.8 66.09 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.292 1.437 . . . . 0.0 108.362 168.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.2 tp -69.54 -46.12 67.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 117.114 -1.835 . . . . 0.0 106.616 -164.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -50.66 -42.69 56.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.997 2.519 . . . . 0.0 115.2 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -77.38 -28.07 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 119.716 1.144 . . . . 0.0 112.237 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -76.25 -30.86 58.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.986 0.915 . . . . 0.0 112.629 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 27' ' ' ASN . 10.5 pt -68.64 -59.42 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' H ' HG13 ' A' ' 26' ' ' ILE . 70.1 m-80 -143.68 8.92 1.54 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.395 1.878 . . . . 0.0 112.28 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 55.62 60.55 3.26 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.38 1.872 . . . . 0.0 113.765 -167.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -138.14 -167.34 2.14 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.538 1.535 . . . . 0.0 111.754 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.255 0.2 OUTLIER 67.73 -164.12 0.21 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 160.545 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 47.49 -48.73 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.362 3.065 . . . . 0.0 116.097 -141.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' B' ' 32' ' ' ILE . 18.0 mm -69.56 -27.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 126.156 1.782 . . . . 0.0 113.372 -175.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -44.68 78.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.911 0.862 . . . . 0.0 109.13 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.92 -45.98 86.84 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 117.179 -1.391 . . . . 0.0 110.473 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -50.89 -55.89 14.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.029 1.286 . . . . 0.0 112.18 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -66.52 -39.4 88.63 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 118.788 0.722 . . . . 0.0 111.626 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 t -61.03 -44.66 97.07 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.79 0.805 . . . . 0.0 110.918 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -66.04 -54.57 24.18 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.494 1.917 . . . . 0.0 110.855 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.95 -40.84 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 O-C-N 121.827 -0.546 . . . . 0.0 111.63 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.66 -27.33 63.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.118 174.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.84 -25.14 65.4 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.731 1.151 . . . . 0.0 111.824 172.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -82.06 -48.59 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.479 -1.388 . . . . 0.0 110.222 170.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.4 -45.72 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -171.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -118.56 -31.97 4.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.579 1.152 . . . . 0.0 113.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.08 -19.08 71.62 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.976 -1.078 . . . . 0.0 113.286 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 59.17 39.65 22.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.47 1.908 . . . . 0.0 113.803 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -66.81 135.78 54.45 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.155 -0.965 . . . . 0.0 110.254 162.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -161.86 121.66 2.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.856 1.262 . . . . 0.0 110.626 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.01 -160.6 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.937 1.695 . . . . 0.0 110.226 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -56.33 -175.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.986 1.714 . . . . 0.0 113.905 163.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.68 -6.83 0.8 Allowed Glycine 0 N--CA 1.472 1.079 0 N-CA-C 117.22 1.648 . . . . 0.0 117.22 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -48.03 -64.04 0.9 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.977 1.889 . . . . 0.0 111.432 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 t -66.7 -37.28 84.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.041 -1.037 . . . . 0.0 112.964 -174.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.24 -56.34 13.42 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.914 1.286 . . . . 0.0 110.43 169.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.9 tptt -62.76 -42.64 99.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.348 1.459 . . . . 0.0 113.321 -177.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 59' ' ' THR . 1.1 mptt -54.38 -51.85 63.51 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.74 1.609 . . . . 0.0 111.086 170.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.01 -36.28 74.99 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.136 -1.602 . . . . 0.0 112.619 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.2 p -82.24 -26.75 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.289 0.635 . . . . 0.0 112.259 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.6 t -69.84 -33.74 72.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.689 -1.257 . . . . 0.0 112.163 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.83 -56.68 5.08 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.57 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -37.3 73.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.218 -0.42 . . . . 0.0 112.108 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.81 -18.32 12.44 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.465 -0.779 . . . . 0.0 112.872 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -121.5 -23.34 5.65 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 161.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -65.3 -50.53 65.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 122.021 2.191 . . . . 0.0 112.731 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.74 -34.1 73.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.873 1.269 . . . . 0.0 112.246 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -86.5 -58.86 2.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.547 1.939 . . . . 0.0 115.736 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.11 -42.64 3.04 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -159.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.828 2.051 . . . . 0.0 112.503 -174.426 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 m -141.82 151.73 43.04 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.2 1.4 . . . . 0.0 111.796 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -75.56 162.68 28.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.568 0.747 . . . . 0.0 112.883 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.44 153.94 37.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.878 1.271 . . . . 0.0 112.292 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.431 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 18.4 ttp180 -142.77 149.1 38.26 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.21 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 91.5 mmm -120.74 10.77 11.04 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.491 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 67.4 m 48.57 -93.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.239 2.216 . . . . 0.0 114.982 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.7 90.35 2.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 121.393 1.906 . . . . 0.0 110.59 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -70.46 -31.6 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 111.051 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.97 8.47 60.39 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.107 0.86 . . . . 0.0 113.581 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.26 -63.64 0.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.953 1.701 . . . . 0.0 110.969 172.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.66 41.21 25.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.829 2.052 . . . . 0.0 114.402 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.77 107.39 19.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.225 -0.922 . . . . 0.0 113.437 -158.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.6 t 50.4 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.75 2.82 . . . . 0.0 115.153 176.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.21 -32.34 72.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.792 1.237 . . . . 0.0 112.637 165.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -102.81 9.52 38.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.188 0.995 . . . . 0.0 112.453 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.44 -9.16 39.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -45.18 -29.35 0.93 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 120.194 1.361 . . . . 0.0 114.331 -175.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.0 tptp -48.28 -68.46 0.18 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.873 1.669 . . . . 0.0 113.374 164.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.482 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.91 -36.77 78.41 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.64 2.376 . . . . 0.0 109.584 -172.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -51.84 -48.27 64.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 129.169 2.988 . . . . 0.0 111.311 167.25 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.32 -44.47 58.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 118.607 -1.237 . . . . 0.0 107.911 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -60.4 -29.24 68.84 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.917 2.087 . . . . 0.0 115.257 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.52 -27.96 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 170.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.22 -30.21 64.7 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.907 0.883 . . . . 0.0 112.742 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.33 -175.48 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.304 1.441 . . . . 0.0 113.397 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.7 -28.96 64.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -170.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.16 139.45 48.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.39 1.476 . . . . 0.0 113.027 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.73 81.93 2.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.281 1.433 . . . . 0.0 111.663 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' TYR . . . . . 0.429 ' CE2' HD21 ' B' ' 34' ' ' LEU . 38.8 t80 -73.61 -33.27 64.51 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -159.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.2 -41.95 13.48 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.201 1.401 . . . . 0.0 113.316 171.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.414 ' CG2' HG21 ' A' ' 32' ' ' ILE . 1.8 mp -62.87 -40.69 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.973 0.909 . . . . 0.0 112.162 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.47 -38.55 74.71 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.503 -0.748 . . . . 0.0 110.276 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' B' ' 30' ' ' TYR . 4.0 mt -64.54 -42.68 95.58 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 117.381 -1.295 . . . . 0.0 110.664 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.1 tp -54.88 -56.97 13.7 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.093 1.315 . . . . 0.0 111.721 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -66.97 -37.01 83.47 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.066 0.936 . . . . 0.0 112.038 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -62.56 -44.47 96.26 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.688 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.17 -53.19 40.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.752 1.621 . . . . 0.0 111.283 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.41 -40.23 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.748 -0.595 . . . . 0.0 111.559 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.19 -26.01 62.77 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 118.617 -1.233 . . . . 0.0 113.5 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.12 -32.02 73.3 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.965 -1.084 . . . . 0.0 111.511 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.88 -51.22 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.152 -1.592 . . . . 0.0 110.32 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -68.41 -40.41 81.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -167.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -127.98 -26.94 2.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.875 1.27 . . . . 0.0 113.485 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -21.76 75.07 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 112.779 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.95 45.05 15.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.321 1.848 . . . . 0.0 113.113 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.01 135.87 48.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.788 1.235 . . . . 0.0 110.368 166.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -152.08 115.07 4.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.531 1.132 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.524 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.93 163.12 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.318 1.847 . . . . 0.0 109.46 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -77.05 62.85 2.24 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.863 2.465 . . . . 0.0 114.473 -168.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 -7.71 68.25 Favored Glycine 0 N--CA 1.468 0.8 0 C-N-CA 127.318 2.389 . . . . 0.0 114.895 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 74.2 m -60.84 -61.51 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.019 1.909 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.524 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.3 t -60.98 -36.75 80.26 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.92 -1.113 . . . . 0.0 113.13 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -54.31 -56.76 15.32 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.664 1.186 . . . . 0.0 110.518 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.9 tptt -59.87 -45.05 93.69 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.447 1.499 . . . . 0.0 112.766 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.413 ' O ' HG22 ' B' ' 59' ' ' THR . 1.2 mptm? -54.03 -46.8 71.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 120.749 1.613 . . . . 0.0 111.831 172.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -70.75 -38.14 73.48 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.262 -1.524 . . . . 0.0 113.297 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.8 p -84.81 -23.8 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.413 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.6 t -70.62 -34.65 72.33 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.832 -1.167 . . . . 0.0 111.398 171.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.03 3.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.633 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -36.98 84.65 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.148 0.431 . . . . 0.0 111.877 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -56.45 -18.92 12.83 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -122.04 -27.8 4.52 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 159.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -63.17 -46.92 84.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.943 1.701 . . . . 0.0 113.007 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -72.67 -38.3 67.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.414 1.086 . . . . 0.0 112.246 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -86.9 -56.0 3.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.69 -35.4 4.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -157.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.442 1.897 . . . . 0.0 112.607 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m 52.36 44.13 30.15 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.382 1.473 . . . . 0.0 113.903 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -66.65 113.6 4.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.981 1.312 . . . . 0.0 112.064 -171.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt -87.0 169.16 12.67 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 110.785 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 18.8 ttp180 -126.45 138.46 53.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.008 0.923 . . . . 0.0 112.397 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.1 mmm -125.84 67.37 1.18 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.98 0.8 . . . . 0.0 109.868 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 34.5 m -48.82 115.07 1.13 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.963 0.887 . . . . 0.0 113.361 -171.321 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.293 1.7 mt 50.19 75.64 0.17 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 130.138 3.375 . . . . 0.0 113.8 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -67.51 -32.46 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.271 170.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.48 0.63 56.73 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.838 1.685 . . . . 0.0 114.791 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -135.45 -58.11 0.79 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.539 1.17 . . . . 0.0 110.174 168.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 41.65 24.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 114.589 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.15 100.99 13.71 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.115 0.966 . . . . 0.0 113.307 -161.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.317 4.5 t 52.83 -69.44 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 128.898 2.879 . . . . 0.0 115.585 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.71 -28.28 68.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.658 -1.276 . . . . 0.0 112.253 165.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -101.07 6.62 43.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.382 1.073 . . . . 0.0 111.849 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.4 -9.3 55.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -43.6 -31.26 0.72 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 120.62 1.554 . . . . 0.0 114.688 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 1.2 tptt -49.95 -66.42 0.4 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.413 1.485 . . . . 0.0 112.447 167.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -70.77 -37.05 73.33 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.539 2.336 . . . . 0.0 109.771 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.24 -51.58 66.14 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.731 1.212 . . . . 0.0 108.853 169.132 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' HD3' ' A' ' 5' ' ' ARG . 1.4 tm? -68.72 -45.13 72.34 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -164.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -54.51 -45.3 73.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.536 2.334 . . . . 0.0 115.247 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 pt -74.58 -26.48 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.696 1.589 . . . . 0.0 112.332 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 tp -76.82 -32.78 57.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.117 0.967 . . . . 0.0 112.633 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.96 -168.41 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 124.846 1.259 . . . . 0.0 113.026 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -50.83 -40.3 55.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.926 2.09 . . . . 0.0 114.884 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -155.55 154.31 31.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.645 1.178 . . . . 0.0 112.724 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.29 70.36 0.16 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.837 2.455 . . . . 0.0 113.489 -172.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.51 -26.64 68.05 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -162.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.03 27.2 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.132 0.878 . . . . 0.0 112.496 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 64' ' ' PHE . 24.2 mm -74.64 -30.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.71 -41.24 97.34 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.126 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.99 -47.35 85.5 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.264 -1.35 . . . . 0.0 111.91 169.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD22 HD22 ' B' ' 35' ' ' LEU . 4.6 tt -49.35 -54.9 14.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.941 1.246 . . . . 0.0 110.988 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.413 ' HG ' ' HE2' ' B' ' 64' ' ' PHE . 57.7 p -64.0 -38.63 91.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 119.176 0.898 . . . . 0.0 112.644 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -63.48 -42.66 98.57 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 122.649 1.214 . . . . 0.0 109.921 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.02 -53.44 20.47 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.873 2.469 . . . . 0.0 110.737 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.52 -43.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.88 -0.512 . . . . 0.0 111.0 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.94 -28.22 63.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.218 -0.993 . . . . 0.0 113.31 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.47 -31.2 71.8 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.336 0.971 . . . . 0.0 110.358 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.94 -43.84 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 120.933 -1.104 . . . . 0.0 110.342 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.09 -50.19 56.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.315 1.046 . . . . 0.0 113.822 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -120.24 -29.35 4.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.579 1.152 . . . . 0.0 113.224 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.53 -20.0 73.36 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 113.618 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.08 45.71 20.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.742 2.017 . . . . 0.0 113.827 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -58.72 149.59 25.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.186 0.994 . . . . 0.0 110.944 165.355 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.59 117.35 10.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.272 1.029 . . . . 0.0 111.384 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -160.74 167.25 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.659 1.984 . . . . 0.0 109.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -64.07 -170.58 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.297 1.839 . . . . 0.0 112.013 167.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.41 -6.3 0.27 Allowed Glycine 0 N--CA 1.472 1.097 0 N-CA-C 118.032 1.973 . . . . 0.0 118.032 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.9 m -46.11 -66.75 0.36 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.82 1.81 . . . . 0.0 111.72 170.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -67.19 -36.47 81.83 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.35 -0.844 . . . . 0.0 112.72 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -52.73 -53.32 49.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.816 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.2 tptt -64.74 -44.0 91.54 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 125.009 1.324 . . . . 0.0 112.301 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 59' ' ' THR . 12.0 mptt -52.62 -50.53 62.93 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.349 1.431 . . . . 0.0 110.889 168.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.09 -36.72 77.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 119.839 -1.788 . . . . 0.0 113.022 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.0 p -84.2 -27.25 7.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.528 0.731 . . . . 0.0 112.148 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.5 t -71.34 -34.26 70.35 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.739 -1.226 . . . . 0.0 112.181 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.98 -60.3 2.34 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.258 1.423 . . . . 0.0 109.793 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -36.67 74.79 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.684 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.32 -20.8 20.63 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.683 -0.675 . . . . 0.0 112.578 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -114.09 -31.87 6.21 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 167.225 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' HD11 ' A' ' 32' ' ' ILE . 52.7 t80 -65.7 -55.25 18.38 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.306 0.957 . . . . 0.0 113.46 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -68.37 -34.51 76.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.974 1.31 . . . . 0.0 112.267 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.43 -59.34 2.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 115.448 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -106.35 -47.21 3.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -161.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.533 1.933 . . . . 0.0 112.926 -171.884 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 52.67 40.66 30.63 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.494 1.518 . . . . 0.0 115.077 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -67.51 162.31 23.55 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.99 0.916 . . . . 0.0 111.749 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.47 114.2 7.48 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.05 -1.031 . . . . 0.0 109.103 165.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.556 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 36.5 ttp180 -100.92 142.47 32.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -121.22 67.05 0.87 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.571 0.7 . . . . 0.0 109.605 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 57.5 m -50.45 114.01 1.02 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.052 0.929 . . . . 0.0 112.759 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt 51.58 73.42 0.31 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.175 2.99 . . . . 0.0 113.987 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.92 -31.75 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.464 1.106 . . . . 0.0 111.467 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.79 2.4 56.23 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.952 1.739 . . . . 0.0 114.854 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.96 -55.04 0.66 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.722 1.209 . . . . 0.0 110.869 168.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.75 39.31 31.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 114.515 176.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.81 108.0 20.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -159.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.333 5.0 t 50.78 -72.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.961 2.905 . . . . 0.0 115.703 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.58 -29.89 71.08 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.662 -1.274 . . . . 0.0 112.092 166.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -99.5 5.0 46.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.847 1.659 . . . . 0.0 111.985 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.96 -8.54 45.54 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.488 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.41 -28.29 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 121.011 1.732 . . . . 0.0 114.903 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.556 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.5 OUTLIER -51.92 -67.64 0.23 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.019 1.728 . . . . 0.0 113.584 165.637 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.542 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -70.58 -35.28 72.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.725 2.41 . . . . 0.0 109.745 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.488 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -50.49 -49.86 54.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.029 2.932 . . . . 0.0 111.342 165.531 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -73.48 -40.53 64.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 117.049 -1.86 . . . . 0.0 108.813 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASN . . . . . 0.409 ' ND2' ' HD2' ' B' ' 19' ' ' LYS . 87.6 m-20 -63.54 -15.02 56.82 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.135 2.174 . . . . 0.0 116.242 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -101.42 -26.39 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.859 1.209 . . . . 0.0 113.183 164.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.39 -29.96 62.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.474 1.109 . . . . 0.0 113.064 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -76.45 -178.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.424 1.09 . . . . 0.0 113.683 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -62.17 -25.0 67.51 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -139.68 153.8 47.35 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.949 1.3 . . . . 0.0 112.685 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -72.16 129.51 38.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.588 0.755 . . . . 0.0 111.791 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -118.61 -145.46 0.38 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.945 1.298 . . . . 0.0 111.789 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 48.64 -44.41 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.736 3.214 . . . . 0.0 117.015 -153.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.415 ' CG2' HG21 ' A' ' 32' ' ' ILE . 1.7 mp -77.51 -30.06 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.111 1.364 . . . . 0.0 113.154 -164.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.35 -40.4 82.09 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.241 -0.912 . . . . 0.0 110.152 169.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.78 -46.77 88.12 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.618 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.475 HD22 HD22 ' A' ' 35' ' ' LEU . 4.8 tt -47.11 -55.81 7.7 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.135 1.334 . . . . 0.0 111.386 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -64.4 -40.98 96.85 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.317 0.962 . . . . 0.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.97 96.76 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.218 1.009 . . . . 0.0 111.337 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -69.35 -55.53 10.15 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 128.007 2.523 . . . . 0.0 110.641 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.53 -42.82 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 O-C-N 121.743 -0.598 . . . . 0.0 111.097 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.55 -29.62 63.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 119.255 -0.978 . . . . 0.0 113.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.87 -27.39 65.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.619 1.099 . . . . 0.0 110.848 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.63 -41.76 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 121.199 -0.938 . . . . 0.0 110.858 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -67.99 -52.08 39.92 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -120.25 -31.92 4.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.818 1.247 . . . . 0.0 112.882 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.49 -18.97 64.11 Favored Glycine 0 CA--C 1.538 1.528 0 O-C-N 121.186 -0.947 . . . . 0.0 113.336 170.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m 57.38 43.84 22.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 113.604 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -58.55 149.52 25.29 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.987 161.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -140.47 119.6 12.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.288 1.035 . . . . 0.0 111.301 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.97 168.12 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.894 2.078 . . . . 0.0 109.543 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -64.4 -171.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.229 1.812 . . . . 0.0 111.871 167.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.3 -5.91 0.23 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 118.064 1.986 . . . . 0.0 118.064 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 48.7 m -45.51 -68.51 0.19 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.803 1.802 . . . . 0.0 111.708 170.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.78 -35.17 78.2 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.156 -0.965 . . . . 0.0 112.874 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.51 -54.25 35.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.413 1.085 . . . . 0.0 110.516 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.501 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.9 tptt -63.72 -43.57 96.14 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 117.467 -1.254 . . . . 0.0 112.268 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.527 ' O ' HG22 ' B' ' 59' ' ' THR . 11.6 mptt -53.6 -49.28 68.15 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.255 1.389 . . . . 0.0 111.78 169.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.25 2.5 pp -81.38 -21.11 39.27 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.356 -2.09 . . . . 0.0 114.982 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.5 p -87.35 -25.73 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.409 0.684 . . . . 0.0 112.191 171.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 56' ' ' LYS . 3.7 t -70.27 -33.19 71.29 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.589 -1.32 . . . . 0.0 112.036 171.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.42 3.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.783 0.833 . . . . 0.0 110.628 174.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -37.54 77.35 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.713 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.34 -19.18 8.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -120.18 -25.81 5.63 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 161.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' PHE . . . . . 0.413 ' HE2' ' HG ' ' A' ' 36' ' ' SER . 51.2 t80 -63.27 -53.51 51.75 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.747 1.612 . . . . 0.0 113.264 174.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -70.69 -28.55 64.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.191 1.396 . . . . 0.0 113.19 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -91.92 -56.82 2.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.841 2.056 . . . . 0.0 115.608 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.49 -34.9 4.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -157.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 126.545 1.938 . . . . 0.0 112.697 -176.719 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -146.62 162.29 38.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.35 1.46 . . . . 0.0 112.406 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -71.17 144.39 50.2 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.052 0.941 . . . . 0.0 111.469 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.04 162.87 32.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.963 1.705 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -132.92 147.62 52.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.915 0.886 . . . . 0.0 112.919 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -122.54 12.74 10.06 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.488 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 64.4 m 47.19 -95.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.273 2.229 . . . . 0.0 114.937 -175.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -125.49 91.51 3.42 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.252 1.842 . . . . 0.0 110.14 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.59 -35.35 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.828 0.851 . . . . 0.0 110.66 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.22 -0.13 58.59 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.129 1.347 . . . . 0.0 113.7 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.86 -70.93 0.59 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.483 . . . . 0.0 108.985 171.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.77 32.08 20.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.189 1.396 . . . . 0.0 114.345 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.66 165.15 0.91 Allowed 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.966 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -38.05 -41.34 0.56 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 -34.3 57.02 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.284 -1.51 . . . . 0.0 113.545 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.2 7.98 35.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.814 2.445 . . . . 0.0 113.082 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.99 -8.97 58.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.234 1.414 . . . . 0.0 113.746 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.9 pm0 -44.57 -31.47 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.677 1.126 . . . . 0.0 113.291 -176.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.3 tptp -47.78 -67.36 0.28 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.272 1.429 . . . . 0.0 113.585 165.527 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.1 mm? -69.16 -37.33 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.531 2.333 . . . . 0.0 109.752 -173.181 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -52.59 -47.67 66.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.551 3.14 . . . . 0.0 111.085 168.332 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tt -74.55 -44.42 51.14 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.882 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.29 -28.39 66.73 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.242 2.217 . . . . 0.0 115.407 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.73 -31.82 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 169.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.33 -38.26 74.86 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.388 0.675 . . . . 0.0 111.812 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.479 HG13 ' H ' ' A' ' 27' ' ' ASN . 7.3 pt -55.67 -57.18 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.479 ' H ' HG13 ' A' ' 26' ' ' ILE . 70.4 m-80 -149.07 -62.33 0.23 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.023 2.129 . . . . 0.0 108.894 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -159.4 -45.78 0.05 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -157.25 149.21 22.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.114 0.87 . . . . 0.0 112.368 -171.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -152.66 -41.44 0.1 Allowed 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -34.5 -43.92 0.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.794 2.038 . . . . 0.0 114.863 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -70.9 -32.69 49.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.67 -40.43 72.27 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.557 -0.714 . . . . 0.0 109.911 167.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.18 -47.47 82.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.531 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 60' ' ' LEU . 30.3 tp -53.89 -53.17 56.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.453 1.024 . . . . 0.0 111.646 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 t -67.23 -39.18 86.18 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.628 0.728 . . . . 0.0 111.76 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -41.08 99.06 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.535 0.683 . . . . 0.0 110.808 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.62 -55.64 12.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.226 1.81 . . . . 0.0 110.994 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.18 -43.12 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 O-C-N 121.874 -0.516 . . . . 0.0 110.858 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.57 -28.2 62.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.993 -1.083 . . . . 0.0 113.367 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.45 -24.29 64.7 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.721 1.146 . . . . 0.0 111.137 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.47 -47.42 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.85 -1.156 . . . . 0.0 110.372 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.07 -45.66 76.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -122.07 -32.13 3.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.652 1.181 . . . . 0.0 113.204 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.15 -19.56 68.26 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 121.123 -0.985 . . . . 0.0 113.308 172.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.91 45.99 17.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.667 1.987 . . . . 0.0 113.683 176.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -64.88 140.95 58.92 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.325 -0.86 . . . . 0.0 110.374 160.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -137.79 130.85 30.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.018 1.327 . . . . 0.0 110.602 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -162.68 168.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 126.761 2.024 . . . . 0.0 109.796 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.4 -169.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.795 2.038 . . . . 0.0 113.49 162.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.1 -6.47 0.37 Allowed Glycine 0 N--CA 1.474 1.214 0 N-CA-C 118.132 2.013 . . . . 0.0 118.132 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -49.2 -64.66 0.74 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.93 1.865 . . . . 0.0 111.321 170.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -67.57 -35.82 79.75 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.612 1.096 . . . . 0.0 113.191 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -51.52 -55.11 20.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.486 1.114 . . . . 0.0 110.532 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.7 tptt -62.88 -43.86 97.67 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.007 1.323 . . . . 0.0 112.868 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 59' ' ' THR . 12.7 mptt -55.39 -47.95 75.09 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.62 1.555 . . . . 0.0 111.459 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.13 -40.1 71.62 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.163 -1.586 . . . . 0.0 112.451 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.1 p -79.2 -27.43 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.689 -0.632 . . . . 0.0 111.859 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.4 t -71.8 -34.27 69.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.71 -1.243 . . . . 0.0 112.058 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 35' ' ' LEU . 1.1 mm? -46.78 -58.49 3.83 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.646 0.778 . . . . 0.0 110.358 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -37.46 76.1 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.977 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -56.47 -19.13 13.79 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 118.711 -0.662 . . . . 0.0 112.681 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -33.36 5.44 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 164.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.59 -51.61 64.57 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.146 1.339 . . . . 0.0 113.234 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -70.03 -33.88 72.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.055 1.342 . . . . 0.0 112.308 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -91.27 -58.64 2.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.385 1.874 . . . . 0.0 115.892 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -108.17 -45.47 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -158.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.076 2.15 . . . . 0.0 112.317 -173.184 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 112.217 -0.353 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 57.07 31.46 19.99 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.669 1.587 . . . . 0.0 115.152 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -72.56 143.07 48.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.622 1.169 . . . . 0.0 111.525 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt -100.79 149.35 23.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.822 1.249 . . . . 0.0 111.261 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 6.0 ttp180 -142.33 143.77 32.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.437 1.095 . . . . 0.0 112.056 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.24 21.64 12.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.433 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.256 88.3 p 36.74 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.277 2.231 . . . . 0.0 114.925 -171.622 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.25 90.47 3.27 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 119.84 -1.788 . . . . 0.0 112.614 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mt -71.92 -31.13 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.206 1.402 . . . . 0.0 110.833 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . 0.414 ' HA2' HG21 ' B' ' 59' ' ' THR . . . 89.43 9.2 67.19 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 115.238 0.855 . . . . 0.0 115.238 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.14 -71.43 0.38 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.172 1.389 . . . . 0.0 111.901 173.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.93 44.34 13.68 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 169.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.12 137.38 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.349 2.9 t 50.01 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 130.037 3.335 . . . . 0.0 113.586 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.59 -28.87 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.161 0.984 . . . . 0.0 112.68 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -107.19 2.8 25.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.54 1.136 . . . . 0.0 112.99 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.91 -11.82 59.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -46.32 -29.29 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.446 1.475 . . . . 0.0 114.03 -175.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 3.0 tptp -48.32 -67.66 0.25 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.443 1.497 . . . . 0.0 113.864 164.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.534 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -69.98 -36.68 75.37 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 126.959 2.104 . . . . 0.0 109.636 -172.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -49.65 -49.93 45.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 129.397 3.079 . . . . 0.0 110.947 166.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.46 -47.85 53.09 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -175.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.86 -33.05 70.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.357 1.863 . . . . 0.0 114.759 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 pt -84.26 -28.98 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.994 1.27 . . . . 0.0 112.625 172.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.45 -27.67 59.0 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 pt -82.05 -176.33 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.855 1.262 . . . . 0.0 113.571 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -62.47 -27.44 69.13 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -170.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -145.39 149.58 34.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.322 0.965 . . . . 0.0 113.281 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 83.78 2.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.83 1.652 . . . . 0.0 112.034 -172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.84 -43.0 72.86 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -161.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -37.08 -42.12 0.4 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.533 1.933 . . . . 0.0 114.582 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.85 -42.25 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.381 1.072 . . . . 0.0 112.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.28 -43.51 64.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.879 0.872 . . . . 0.0 109.807 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.52 -48.12 82.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.909 174.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.88 -55.12 22.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.027 1.285 . . . . 0.0 110.907 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.03 -41.4 90.98 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.06 0.845 . . . . 0.0 111.851 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.1 t -62.24 -41.52 98.49 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.699 0.761 . . . . 0.0 110.723 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.99 -56.6 9.46 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.692 1.997 . . . . 0.0 110.903 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.57 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.82 -0.55 . . . . 0.0 111.371 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.0 -30.73 65.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.747 -1.181 . . . . 0.0 113.024 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.33 -24.37 63.91 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.614 1.097 . . . . 0.0 111.394 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.38 -47.87 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.722 -1.236 . . . . 0.0 109.919 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -72.1 -43.31 64.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -119.18 -30.91 4.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.373 1.069 . . . . 0.0 113.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.15 -15.32 72.08 Favored Glycine 0 CA--C 1.54 1.62 0 O-C-N 121.25 -0.907 . . . . 0.0 114.048 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.311 72.1 p 53.01 42.49 32.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.275 2.23 . . . . 0.0 115.336 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.94 143.17 22.32 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.701 159.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -140.9 117.79 11.1 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.383 1.073 . . . . 0.0 111.384 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -162.24 169.74 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 127.317 2.247 . . . . 0.0 109.473 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -62.11 -169.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.033 1.733 . . . . 0.0 112.003 166.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.24 0.23 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 126.363 1.935 . . . . 0.0 117.869 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -47.18 -64.64 0.73 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.763 1.782 . . . . 0.0 111.646 171.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -70.83 -33.62 70.86 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.061 -1.024 . . . . 0.0 113.458 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -52.19 -54.9 25.2 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.27 1.028 . . . . 0.0 109.926 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.529 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.6 tptt -61.03 -43.16 99.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 124.828 1.251 . . . . 0.0 112.106 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.625 ' O ' HG22 ' B' ' 59' ' ' THR . 14.0 mptt -54.6 -51.84 64.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.256 1.389 . . . . 0.0 111.945 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pp -82.06 -22.82 36.16 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 119.79 -1.818 . . . . 0.0 114.65 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.9 p -80.6 -24.68 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 118.834 0.743 . . . . 0.0 111.885 169.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.0 t -73.15 -31.01 64.0 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.596 -1.315 . . . . 0.0 112.673 171.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -48.55 -57.35 6.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.573 172.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -37.91 84.88 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 118.416 0.553 . . . . 0.0 112.14 176.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.62 -25.68 18.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.163 -0.922 . . . . 0.0 112.428 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -120.28 -19.46 7.66 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.9 -48.48 36.85 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 121.142 1.792 . . . . 0.0 112.61 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.68 -31.69 68.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.437 1.095 . . . . 0.0 112.378 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -99.27 -62.38 1.24 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -176.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -100.76 -38.11 8.42 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -158.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.561 2.344 . . . . 0.0 111.789 -177.073 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.096 -0.401 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -148.36 165.89 29.7 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 112.439 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -119.23 149.28 42.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.481 1.513 . . . . 0.0 111.592 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.4 ttp -131.79 161.16 33.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.144 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 2.8 ttp180 -119.74 150.79 39.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.64 1.176 . . . . 0.0 113.57 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.1 mmm -121.85 17.33 11.01 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.442 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 92.4 p 43.15 -95.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.302 2.641 . . . . 0.0 114.819 -176.101 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.49 89.77 2.83 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 120.388 1.449 . . . . 0.0 110.639 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.43 -32.7 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.059 1.344 . . . . 0.0 110.649 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.38 6.58 61.18 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.436 1.017 . . . . 0.0 113.462 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.01 -72.05 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.759 1.624 . . . . 0.0 108.147 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.91 39.0 31.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.472 1.509 . . . . 0.0 113.299 -176.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -58.84 167.46 1.56 Allowed 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 126.248 1.819 . . . . 0.0 112.363 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -38.58 -41.91 0.72 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.29 -31.67 49.06 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.345 -1.472 . . . . 0.0 113.774 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -93.4 12.04 26.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.921 2.489 . . . . 0.0 113.174 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.61 -9.4 58.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.461 1.504 . . . . 0.0 114.132 -174.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.7 pm0 -42.09 -31.6 0.38 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.917 1.687 . . . . 0.0 113.976 -176.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.1 tptp -51.89 -67.93 0.21 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.275 1.83 . . . . 0.0 113.101 166.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.9 mm? -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.079 2.152 . . . . 0.0 109.782 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -56.24 -52.92 62.69 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 125.007 1.323 . . . . 0.0 108.986 168.332 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.36 -42.34 75.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -162.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.23 -37.52 69.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.027 2.931 . . . . 0.0 116.164 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 pt -77.71 -28.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 120.287 1.403 . . . . 0.0 112.123 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -76.73 -28.76 55.92 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.153 0.981 . . . . 0.0 112.683 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.5 pt -81.18 -136.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 111.872 173.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -65.58 11.03 0.08 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 127.863 2.465 . . . . 0.0 115.313 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 69.28 144.9 0.05 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.356 3.062 . . . . 0.0 116.476 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 52.24 32.87 11.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.827 2.051 . . . . 0.0 116.055 165.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -70.0 -26.44 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.475 -1.39 . . . . 0.0 114.685 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -33.67 41.0 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.471 -1.393 . . . . 0.0 113.213 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.056 0.943 . . . . 0.0 111.715 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.13 -46.35 79.23 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.403 -0.811 . . . . 0.0 110.248 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.63 -47.59 85.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.217 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.68 -55.58 15.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.947 1.703 . . . . 0.0 111.919 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -67.58 -39.85 84.85 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.443 1.02 . . . . 0.0 111.963 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -60.57 -43.27 97.48 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.84 0.828 . . . . 0.0 110.911 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.52 -57.18 7.85 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.09 2.156 . . . . 0.0 110.575 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.91 -41.06 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 122.063 -0.398 . . . . 0.0 111.646 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.65 -27.58 63.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 118.908 -1.117 . . . . 0.0 113.389 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -65.84 -26.72 67.79 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.719 1.145 . . . . 0.0 112.16 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.44 -52.67 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 120.474 -1.391 . . . . 0.0 110.208 167.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.98 -42.21 81.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -166.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -121.25 -29.61 4.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 113.221 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.32 73.03 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 119.508 1.049 . . . . 0.0 113.602 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.295 69.7 p 52.74 45.29 28.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.966 2.106 . . . . 0.0 114.414 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -53.77 141.13 27.76 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 110.719 162.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -146.38 116.51 7.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.034 1.334 . . . . 0.0 110.358 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.76 171.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.0 2.12 . . . . 0.0 108.942 -174.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -62.08 -171.31 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.514 1.526 . . . . 0.0 111.692 164.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.75 -5.43 0.15 Allowed Glycine 0 N--CA 1.473 1.147 0 N-CA-C 118.256 2.062 . . . . 0.0 118.256 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -47.24 -67.29 0.29 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.324 2.062 . . . . 0.0 111.688 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -65.66 -35.84 81.93 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.898 -1.126 . . . . 0.0 112.952 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -53.21 -56.84 13.31 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 125.061 1.344 . . . . 0.0 110.282 170.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HA ' HG12 ' A' ' 58' ' ' VAL . 23.5 tptt -62.29 -43.92 97.7 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.626 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.625 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -50.42 -55.96 13.53 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.734 1.606 . . . . 0.0 111.363 170.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.4 -24.34 39.76 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 119.92 -1.737 . . . . 0.0 114.627 -171.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.5 p -79.98 -26.45 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.531 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.7 t -69.89 -34.35 73.43 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.753 -1.217 . . . . 0.0 111.321 172.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.26 -54.52 13.35 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.503 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -36.22 73.96 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.41 -21.22 14.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.428 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.93 -37.95 4.35 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 169.157 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -62.31 -49.08 77.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.01 -34.08 66.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.878 1.271 . . . . 0.0 112.563 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -92.23 -58.02 2.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.436 1.894 . . . . 0.0 116.071 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -105.34 -43.96 4.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -159.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.683 1.193 . . . . 0.0 113.243 -170.363 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -131.33 22.79 4.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.719 1.208 . . . . 0.0 113.332 -171.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -86.51 6.23 31.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -166.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -46.59 121.35 3.44 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.602 1.561 . . . . 0.0 112.584 -170.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 13.3 ttp180 -67.1 146.71 54.01 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.94 0.896 . . . . 0.0 113.155 -165.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.5 mmt -122.99 70.67 1.02 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.541 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 48.0 m -48.44 119.33 2.96 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.201 -175.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.439 0.0 OUTLIER 32.94 72.61 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 129.693 3.197 . . . . 0.0 117.083 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' B' ' 9' ' ' ILE . 1.4 mt -62.25 -34.37 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 126.365 1.866 . . . . 0.0 111.381 170.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -1.89 55.89 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.501 1.048 . . . . 0.0 114.925 -168.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -129.76 -67.77 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.795 1.297 . . . . 0.0 110.171 170.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.05 36.84 9.34 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.962 1.705 . . . . 0.0 113.761 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -64.58 172.74 2.49 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 112.399 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -39.41 -43.44 1.22 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 -171.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.18 -34.1 49.79 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.28 -1.512 . . . . 0.0 113.735 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.02 11.59 20.17 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.28 2.232 . . . . 0.0 112.962 174.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.67 -12.26 61.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.418 1.487 . . . . 0.0 114.183 -174.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.45 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.4 pm0 -44.02 -27.95 0.42 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.367 1.467 . . . . 0.0 114.613 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.8 tptp -50.48 -69.78 0.1 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.113 1.365 . . . . 0.0 112.711 163.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.673 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.6 mm? -68.12 -37.16 80.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.321 1.848 . . . . 0.0 110.294 -174.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -56.18 -51.6 67.42 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.85 1.26 . . . . 0.0 108.209 170.297 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 52.8 tp -71.77 -40.83 69.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 116.316 -2.154 . . . . 0.0 106.539 -164.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -54.18 -40.17 67.3 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.237 2.215 . . . . 0.0 115.137 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.4 pt -78.72 -26.58 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 121.025 1.738 . . . . 0.0 112.874 173.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -75.34 -33.77 61.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.593 1.157 . . . . 0.0 112.409 -175.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.37 -170.92 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.051 1.341 . . . . 0.0 113.446 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -45.8 -44.82 14.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.521 2.328 . . . . 0.0 114.851 -171.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -155.31 158.92 39.51 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.184 1.393 . . . . 0.0 111.609 173.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.37 143.05 35.95 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.956 1.303 . . . . 0.0 112.073 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -137.41 -29.93 0.86 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -164.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.99 45.57 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.223 1.374 . . . . 0.0 112.984 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.08 -38.78 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.477 1.511 . . . . 0.0 112.264 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -60.03 -41.86 93.16 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 121.177 -0.952 . . . . 0.0 110.574 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.7 -39.86 95.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.244 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -56.1 -56.79 16.57 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 120.705 1.593 . . . . 0.0 111.8 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -64.98 -38.98 92.76 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 119.099 0.863 . . . . 0.0 111.528 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -61.0 -45.63 94.04 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.481 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.08 -53.01 35.0 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.053 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.18 -41.21 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.807 -0.558 . . . . 0.0 111.714 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.2 -27.12 64.25 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 118.674 -1.21 . . . . 0.0 113.321 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.1 -28.83 69.71 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.01 -1.057 . . . . 0.0 112.501 171.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.94 -52.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 120.025 -1.672 . . . . 0.0 109.641 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.24 -41.32 85.83 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -165.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -123.66 -31.69 3.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.7 1.2 . . . . 0.0 113.324 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.7 -19.08 74.6 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 119.624 1.102 . . . . 0.0 113.258 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m 56.81 55.81 5.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.806 2.042 . . . . 0.0 113.376 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -48.54 135.87 13.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.956 0.902 . . . . 0.0 109.519 158.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -139.81 86.52 2.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.847 1.259 . . . . 0.0 110.566 -169.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.94 167.68 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.873 1.669 . . . . 0.0 110.783 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.18 -167.9 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.322 2.249 . . . . 0.0 113.237 163.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.98 -7.21 0.29 Allowed Glycine 0 N--CA 1.473 1.158 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 83.2 m -47.94 -65.12 0.62 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 120.202 2.001 . . . . 0.0 111.949 171.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -67.76 -34.63 77.18 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.03 -1.043 . . . . 0.0 113.144 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -53.69 -55.82 22.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.608 1.163 . . . . 0.0 109.87 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.524 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.3 tptt -60.67 -44.95 95.86 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 124.912 1.285 . . . . 0.0 111.897 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.615 ' O ' HG22 ' B' ' 59' ' ' THR . 13.7 mptt -53.34 -52.4 59.33 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.157 1.344 . . . . 0.0 111.445 174.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.63 -27.55 40.94 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.963 -1.711 . . . . 0.0 114.48 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.6 p -77.28 -24.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.539 -0.726 . . . . 0.0 111.369 173.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.615 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.3 t -73.91 -34.36 64.35 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.719 -1.238 . . . . 0.0 112.418 172.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.52 -53.68 17.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.752 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -36.78 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.875 0.761 . . . . 0.0 112.666 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.02 -24.16 9.06 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.615 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -118.58 -25.79 6.35 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -67.26 -46.1 74.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.51 1.959 . . . . 0.0 112.695 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -73.49 -34.18 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.131 1.372 . . . . 0.0 112.331 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -94.25 -61.21 1.56 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -106.17 -41.22 5.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -157.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.512 1.525 . . . . 0.0 113.238 -171.744 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -86.1 137.43 32.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.798 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -135.92 146.18 47.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.474 1.509 . . . . 0.0 110.94 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.8 tpp -101.1 148.93 24.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.19 1.396 . . . . 0.0 111.095 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 5.8 ttp180 -137.65 143.08 41.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mmm -123.13 21.75 9.63 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 84.5 p 38.44 -89.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.654 2.782 . . . . 0.0 116.476 -173.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 92.38 3.35 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.818 1.645 . . . . 0.0 110.148 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.87 -35.57 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 0.0 111.141 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 1.75 55.86 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 125.263 1.411 . . . . 0.0 114.413 -175.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -137.51 -59.23 0.68 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.483 1.142 . . . . 0.0 110.028 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.81 42.4 23.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.413 1.485 . . . . 0.0 114.522 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -95.07 102.95 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.086 0.955 . . . . 0.0 113.506 -163.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.32 3.7 t 53.03 -69.15 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 129.204 3.001 . . . . 0.0 115.411 174.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.43 -24.2 64.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.58 1.152 . . . . 0.0 112.595 167.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -103.87 3.71 34.07 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.313 1.445 . . . . 0.0 112.347 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.77 -11.18 60.06 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.11 -30.58 0.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 120.261 1.391 . . . . 0.0 114.289 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.3 tptp -49.6 -68.37 0.18 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.499 1.52 . . . . 0.0 113.401 166.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.557 ' H ' HD22 ' A' ' 20' ' ' LEU . 1.9 mm? -68.18 -37.26 80.75 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 127.279 2.232 . . . . 0.0 109.561 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -50.91 -49.31 59.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 129.323 3.049 . . . . 0.0 111.075 167.791 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tt -72.0 -48.37 45.26 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -55.55 -38.94 69.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.305 1.842 . . . . 0.0 114.422 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.26 -28.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.113 1.324 . . . . 0.0 112.562 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.99 -27.58 57.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 pt -81.29 -169.59 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 124.848 1.259 . . . . 0.0 113.233 173.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -52.71 -39.85 62.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.048 2.139 . . . . 0.0 114.929 -172.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -153.95 145.33 23.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.759 1.224 . . . . 0.0 112.119 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.9 69.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.022 3.329 . . . . 0.0 113.603 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.682 ' CE2' HD11 ' A' ' 34' ' ' LEU . 27.9 t80 -55.62 -41.26 73.24 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -161.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -38.15 -41.19 0.57 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.472 2.309 . . . . 0.0 115.833 -176.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.15 -28.73 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 111.929 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.2 -43.36 99.0 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.549 -1.344 . . . . 0.0 110.313 171.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.682 HD11 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mp -57.6 -50.34 73.45 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.146 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -46.18 -53.96 9.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.891 1.276 . . . . 0.0 111.638 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -67.71 -40.75 84.25 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 119.725 1.148 . . . . 0.0 112.656 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -39.12 81.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.571 1.176 . . . . 0.0 110.788 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -76.16 -51.06 12.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.02 2.128 . . . . 0.0 111.248 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 57' ' ' LEU . 2.2 pp -56.46 -41.61 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.269 0.941 . . . . 0.0 110.665 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -73.72 -27.66 61.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.225 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -65.59 -24.99 67.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.875 1.216 . . . . 0.0 111.475 172.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.18 -48.89 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.539 172.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -66.07 -45.92 79.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -123.62 -29.29 3.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.773 1.229 . . . . 0.0 113.101 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.92 -17.22 71.31 Favored Glycine 0 CA--C 1.54 1.652 0 O-C-N 121.177 -0.952 . . . . 0.0 113.606 168.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.315 75.6 p 54.88 41.13 32.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.14 2.176 . . . . 0.0 115.132 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.05 140.18 56.06 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.63 -0.669 . . . . 0.0 110.254 159.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -139.5 125.49 19.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 -174.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.96 169.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.425 2.29 . . . . 0.0 109.303 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.11 -159.83 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.422 1.489 . . . . 0.0 112.269 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.77 -6.67 1.83 Allowed Glycine 0 N--CA 1.469 0.887 0 N-CA-C 117.424 1.73 . . . . 0.0 117.424 -171.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -49.49 -60.45 2.84 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.652 1.726 . . . . 0.0 111.11 170.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -69.56 -37.11 76.89 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.732 1.151 . . . . 0.0 113.154 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -49.89 -54.83 17.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.91 0.884 . . . . 0.0 110.244 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 58' ' ' VAL . 24.0 tptt -61.29 -44.38 97.31 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.449 1.5 . . . . 0.0 112.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.514 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -51.81 -53.65 37.71 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.931 1.696 . . . . 0.0 111.525 171.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD12 HG23 ' A' ' 39' ' ' ILE . 3.3 mm? -79.5 -23.77 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 119.84 -1.787 . . . . 0.0 113.609 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -84.57 -25.6 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 119.277 0.944 . . . . 0.0 112.802 170.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.0 t -70.95 -34.36 71.38 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.225 -1.547 . . . . 0.0 111.638 172.402 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.79 -57.02 4.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.387 1.075 . . . . 0.0 110.4 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CD2' ' HG3' ' A' ' 65' ' ' ARG 0.283 0.0 OUTLIER -76.06 -29.12 57.89 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.992 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.92 -23.27 52.69 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.673 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.494 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -108.0 -41.22 5.01 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 115.437 1.644 . . . . 0.0 115.437 169.095 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.0 -49.67 76.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 33.8 mmm-85 -68.71 -39.46 80.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 111.868 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -97.26 -57.1 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.104 2.161 . . . . 0.0 115.599 -168.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.93 -45.21 5.77 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 124.931 1.292 . . . . 0.0 113.229 -171.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.497 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -139.77 156.01 47.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.104 1.362 . . . . 0.0 112.102 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -151.89 162.24 41.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.249 1.42 . . . . 0.0 111.824 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -68.0 146.18 53.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.331 1.052 . . . . 0.0 111.152 168.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 31.1 ttp180 -124.03 145.96 48.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 111.265 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 15.1 mmt -123.44 74.32 1.24 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.614 0.721 . . . . 0.0 109.298 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.554 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 14.0 m -47.61 118.79 2.4 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.067 -175.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.46 0.0 OUTLIER 32.47 72.11 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 129.844 3.258 . . . . 0.0 117.656 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ILE . . . . . 0.421 ' H ' HG13 ' B' ' 9' ' ' ILE . 1.3 mt -61.98 -32.55 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.899 2.079 . . . . 0.0 112.816 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.7 4.76 51.93 Favored Glycine 0 CA--C 1.545 1.946 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -168.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.19 -70.38 0.3 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.833 1.317 . . . . 0.0 112.496 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.21 43.75 10.62 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -123.77 135.19 53.67 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.35 3.2 t 49.15 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.859 3.263 . . . . 0.0 113.725 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -64.02 -30.33 71.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.365 1.066 . . . . 0.0 112.577 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -105.3 2.51 28.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.844 1.258 . . . . 0.0 112.977 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -64.22 -14.14 53.6 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.474 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.4 -28.59 0.9 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.711 1.596 . . . . 0.0 114.662 -174.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.1 tptp -51.73 -64.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.315 1.446 . . . . 0.0 113.401 166.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.587 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.8 mm? -69.78 -34.84 74.31 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.844 2.058 . . . . 0.0 110.177 -174.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.474 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -56.57 -45.32 81.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.31 3.044 . . . . 0.0 111.107 169.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.425 HD12 ' HD3' ' B' ' 5' ' ' ARG . 2.5 tm? -73.14 -44.49 60.07 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.321 -1.352 . . . . 0.0 107.836 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -59.86 -26.51 65.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.121 1.768 . . . . 0.0 115.215 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 pt -88.3 -28.77 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.732 1.151 . . . . 0.0 112.961 168.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.7 tp -69.25 -28.84 66.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.254 1.022 . . . . 0.0 112.465 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -86.13 -144.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.98 1.712 . . . . 0.0 112.149 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.67 18.58 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 128.51 2.724 . . . . 0.0 115.636 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.7 m80 68.35 152.81 0.09 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 129.259 3.024 . . . . 0.0 116.881 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . 0.273 12.5 pt-20 50.1 21.07 0.69 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 163.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.92 -31.85 71.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.396 -1.44 . . . . 0.0 114.754 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.51 -35.04 12.33 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 174.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.39 -32.22 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.795 0.838 . . . . 0.0 111.792 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.23 -43.86 92.33 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 120.899 -1.126 . . . . 0.0 110.433 173.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.03 -51.72 68.49 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 116.695 -1.621 . . . . 0.0 110.481 168.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.45 -53.74 10.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.489 1.495 . . . . 0.0 111.911 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.2 m -63.92 -50.04 70.25 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.163 0.892 . . . . 0.0 110.966 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -60.6 -34.17 73.83 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 121.106 -0.996 . . . . 0.0 111.093 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.54 -51.53 16.66 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 127.258 2.223 . . . . 0.0 111.814 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.64 -38.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 119.252 0.933 . . . . 0.0 111.268 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -73.15 -27.69 61.81 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.52 -33.4 73.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.154 1.343 . . . . 0.0 111.399 170.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.37 -51.9 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.487 -1.383 . . . . 0.0 109.986 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -167.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -118.3 -28.14 5.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.813 1.245 . . . . 0.0 113.098 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -16.13 75.12 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 119.773 1.169 . . . . 0.0 113.131 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.276 72.4 p 52.87 57.57 6.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.089 2.156 . . . . 0.0 113.795 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -49.22 142.99 6.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.548 1.139 . . . . 0.0 111.502 166.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -141.68 84.41 1.9 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.439 1.496 . . . . 0.0 110.551 -172.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.3 167.5 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.491 1.916 . . . . 0.0 109.935 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.54 -169.97 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.121 1.769 . . . . 0.0 112.037 167.306 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.7 -7.2 0.25 Allowed Glycine 0 N--CA 1.471 1.02 0 C-N-CA 126.364 1.935 . . . . 0.0 117.885 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 96.1 m -47.87 -64.04 0.9 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.285 2.043 . . . . 0.0 111.458 170.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -68.39 -32.51 72.63 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.819 -1.176 . . . . 0.0 113.048 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -56.93 -53.29 59.66 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.491 1.117 . . . . 0.0 110.598 170.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.0 tptt -61.97 -42.31 98.98 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 125.309 1.444 . . . . 0.0 112.388 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -59.11 -44.23 91.97 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.685 1.584 . . . . 0.0 111.412 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.35 -41.57 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.313 -1.492 . . . . 0.0 112.874 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.1 p -82.75 -26.53 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.634 0.774 . . . . 0.0 112.082 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.2 t -71.19 -35.01 71.43 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.007 -1.058 . . . . 0.0 112.326 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.69 -56.72 9.11 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.77 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.76 78.66 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 119.196 -0.431 . . . . 0.0 112.061 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.22 -24.37 18.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.453 0.701 . . . . 0.0 112.451 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 170.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.72 -48.85 70.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -73.45 -34.56 65.47 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.057 1.343 . . . . 0.0 112.224 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.61 -62.4 1.44 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.99 -40.39 8.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -160.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.289 1.435 . . . . 0.0 113.448 -173.153 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -78.5 167.6 21.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.143 1.377 . . . . 0.0 113.435 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -141.59 167.81 21.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.598 1.559 . . . . 0.0 111.312 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -71.73 148.39 46.43 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.555 -0.716 . . . . 0.0 111.356 163.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.611 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 47.7 ttp180 -139.27 143.77 38.08 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.655 1.582 . . . . 0.0 110.466 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -124.49 67.66 1.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.57 0.7 . . . . 0.0 110.562 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 72.9 m -73.66 106.31 5.36 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.743 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.85 143.35 50.88 Favored 'General case' 0 CA--C 1.534 0.329 1 C-N-CA 135.653 5.581 . . . . 0.0 106.507 -4.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.39 -35.68 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.747 -0.596 . . . . 0.0 112.083 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 1.94 59.73 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 124.819 1.2 . . . . 0.0 114.195 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -135.11 -60.27 0.77 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.688 1.244 . . . . 0.0 109.836 168.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.68 41.29 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.364 1.466 . . . . 0.0 114.597 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.54 99.86 12.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -161.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.33 6.0 t 53.29 -69.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 129.043 2.937 . . . . 0.0 115.897 171.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.37 -26.99 68.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.227 1.376 . . . . 0.0 112.172 163.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -100.0 5.17 45.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.738 1.615 . . . . 0.0 112.342 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.03 -9.58 47.0 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -45.51 -29.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 120.621 1.555 . . . . 0.0 114.263 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.6 tptt -47.99 -71.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.44 1.896 . . . . 0.0 113.149 164.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -68.05 -34.21 76.02 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.7 2.4 . . . . 0.0 110.052 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -55.04 -48.66 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 129.426 3.09 . . . . 0.0 111.099 168.947 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.87 -39.82 66.14 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 116.542 -2.063 . . . . 0.0 107.772 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.35 -25.24 67.95 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -88.65 -27.16 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.131 1.332 . . . . 0.0 112.765 167.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.1 -29.92 64.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.209 1.004 . . . . 0.0 112.706 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 pt -85.5 -172.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.95 1.3 . . . . 0.0 113.835 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -54.03 -44.25 70.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.265 2.226 . . . . 0.0 114.59 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -141.9 150.52 41.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.029 1.332 . . . . 0.0 112.42 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.79 73.43 1.56 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.436 1.895 . . . . 0.0 112.935 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -62.76 -27.47 69.31 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.316 1.969 . . . . 0.0 116.316 -161.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.0 53.36 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.143 1.338 . . . . 0.0 112.989 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG21 HG21 ' B' ' 32' ' ' ILE . 7.6 mm -72.05 -33.02 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.277 -0.889 . . . . 0.0 113.343 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.1 -44.17 78.8 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.064 0.393 . . . . 0.0 110.747 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.98 -45.98 91.25 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.965 171.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.2 -54.66 32.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.583 1.992 . . . . 0.0 110.576 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -66.58 -38.62 87.45 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 118.787 0.721 . . . . 0.0 112.359 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -61.6 -43.4 98.92 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.381 1.086 . . . . 0.0 110.918 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.07 -54.9 14.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.513 2.325 . . . . 0.0 110.741 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.04 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.7 -28.0 63.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 119.112 -1.035 . . . . 0.0 113.617 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.6 -27.75 67.18 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.438 1.017 . . . . 0.0 110.931 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.57 -44.1 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.602 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.55 -49.01 65.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.689 1.196 . . . . 0.0 113.606 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -122.41 -31.83 3.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 113.233 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -18.01 62.67 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 170.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.8 m 56.56 47.11 19.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.708 2.003 . . . . 0.0 112.946 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.64 157.85 8.69 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.508 1.123 . . . . 0.0 113.35 170.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.19 110.08 5.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.042 0.937 . . . . 0.0 111.817 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.78 165.08 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.416 1.887 . . . . 0.0 110.141 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.62 -171.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.448 2.299 . . . . 0.0 113.807 164.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.72 -6.48 0.51 Allowed Glycine 0 N--CA 1.474 1.182 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -48.38 -62.19 1.62 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.006 1.903 . . . . 0.0 111.642 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -69.11 -36.22 77.3 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.454 1.024 . . . . 0.0 113.173 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -51.83 -54.46 28.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.211 1.004 . . . . 0.0 110.571 170.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -63.28 -44.02 96.25 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.331 1.452 . . . . 0.0 112.564 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' HG22 ' A' ' 59' ' ' THR . 12.7 mptt -53.41 -48.41 68.72 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.469 1.486 . . . . 0.0 111.289 169.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.21 -37.7 72.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.913 -1.742 . . . . 0.0 112.803 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.4 p -81.5 -27.38 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.232 0.613 . . . . 0.0 112.266 178.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.4 t -71.83 -33.26 68.35 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.616 -1.303 . . . . 0.0 112.338 173.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.59 -57.22 5.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 0.0 109.64 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -37.45 77.36 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.28 -21.13 13.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.534 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.61 -35.13 5.31 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 168.062 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -63.58 -51.32 65.86 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.441 1.019 . . . . 0.0 113.478 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -71.22 -34.2 70.61 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.565 1.146 . . . . 0.0 112.517 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -87.62 -58.67 2.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.458 1.903 . . . . 0.0 115.7 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -107.53 -48.44 3.43 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -160.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.561 1.945 . . . . 0.0 112.533 -171.897 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m 59.57 18.83 7.37 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -135.18 153.17 52.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.048 1.739 . . . . 0.0 110.825 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -123.26 155.7 36.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.467 1.507 . . . . 0.0 111.407 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 10.1 ttp180 -128.05 141.99 51.35 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.246 1.018 . . . . 0.0 112.646 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 68.6 mmm -124.75 66.05 1.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.445 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 30.1 m -51.17 114.75 1.28 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.973 0.892 . . . . 0.0 112.318 -172.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.446 ' O ' ' HE2' ' B' ' 56' ' ' LYS 0.303 3.3 mt 52.92 71.16 0.51 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 129.128 2.971 . . . . 0.0 114.267 177.311 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.62 -36.08 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 110.907 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.69 2.86 32.52 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 125.113 1.339 . . . . 0.0 115.452 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -140.97 -45.09 0.39 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.496 1.648 . . . . 0.0 112.154 166.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 45.75 51.35 10.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.2 2.2 . . . . 0.0 115.361 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -111.18 113.53 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -159.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.5 t 51.56 -72.09 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 129.238 3.015 . . . . 0.0 114.542 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.47 -29.12 69.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.803 1.241 . . . . 0.0 112.683 168.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -105.35 7.6 33.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.914 1.286 . . . . 0.0 112.582 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.8 -10.16 59.36 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.6 pm0 -43.74 -31.55 0.83 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.473 1.509 . . . . 0.0 114.248 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.53 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 1.2 tptt -49.76 -67.08 0.29 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.797 1.639 . . . . 0.0 112.921 166.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.511 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -70.71 -36.56 73.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 127.275 2.23 . . . . 0.0 109.941 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.415 ' O ' HD12 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -54.7 -52.96 60.78 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.834 1.254 . . . . 0.0 108.239 168.805 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.69 -46.27 69.48 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 -162.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -53.05 -43.66 66.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.891 2.476 . . . . 0.0 115.682 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -76.4 -26.86 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.935 1.698 . . . . 0.0 112.256 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.05 -30.51 44.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.885 0.874 . . . . 0.0 113.0 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 pt -79.3 -169.25 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.842 1.257 . . . . 0.0 113.441 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -52.71 -37.81 59.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.26 2.224 . . . . 0.0 114.915 -172.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.99 150.38 29.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.514 1.126 . . . . 0.0 112.987 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.03 80.3 0.93 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.314 1.846 . . . . 0.0 112.041 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -71.94 -27.76 63.01 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -160.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.62 48.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 120.214 1.37 . . . . 0.0 113.211 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 32' ' ' ILE . 2.0 mp -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 124.053 0.941 . . . . 0.0 111.99 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.16 -43.65 87.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.35 -0.844 . . . . 0.0 110.09 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.81 -51.04 71.7 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.04 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -49.03 -53.53 19.73 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 121.027 1.74 . . . . 0.0 112.047 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.4 t -68.6 -41.91 78.89 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.407 0.622 . . . . 0.0 111.703 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -40.68 94.04 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.057 0.932 . . . . 0.0 111.551 177.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.54 -55.38 7.94 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.931 2.492 . . . . 0.0 110.76 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.18 -41.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.623 -0.673 . . . . 0.0 111.31 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.09 -28.58 63.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.522 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.73 -24.96 64.52 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.77 1.168 . . . . 0.0 110.918 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.66 -44.31 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 120.767 -1.208 . . . . 0.0 110.548 172.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.78 -49.39 66.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.3 t -120.21 -30.64 4.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.708 1.203 . . . . 0.0 112.939 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -18.42 70.95 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 113.633 169.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.7 p 53.16 42.3 32.15 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.275 2.23 . . . . 0.0 115.125 177.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -57.81 146.03 33.0 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.748 162.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -141.94 127.03 18.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.089 0.956 . . . . 0.0 112.161 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -163.43 169.73 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 127.537 2.335 . . . . 0.0 108.99 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.23 -171.01 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.513 1.925 . . . . 0.0 113.65 162.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.09 -6.65 0.39 Allowed Glycine 0 N--CA 1.476 1.304 0 N-CA-C 117.798 1.879 . . . . 0.0 117.798 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.9 m -49.53 -64.7 0.73 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.762 1.781 . . . . 0.0 110.435 169.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -65.56 -41.24 93.19 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.234 1.379 . . . . 0.0 112.381 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -46.68 -54.88 8.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.451 1.101 . . . . 0.0 111.068 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.464 ' HA ' HG12 ' B' ' 58' ' ' VAL . 18.4 tptt -61.3 -42.06 98.03 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 116.84 -1.552 . . . . 0.0 112.894 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.463 ' O ' HG22 ' B' ' 59' ' ' THR . 1.1 mptm? -54.15 -52.46 61.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 121.129 1.786 . . . . 0.0 111.957 169.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.58 -35.91 75.8 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 119.913 -1.742 . . . . 0.0 112.222 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.8 p -82.67 -26.43 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 56' ' ' LYS . 4.2 t -68.93 -33.26 73.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.494 -1.379 . . . . 0.0 111.771 171.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.45 -54.75 13.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.359 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -38.8 85.23 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.521 0.601 . . . . 0.0 111.892 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -56.65 -19.67 17.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.552 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -113.92 -29.38 7.06 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -72.67 -45.31 59.56 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.598 1.999 . . . . 0.0 113.247 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -71.63 -32.7 68.25 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.909 1.283 . . . . 0.0 112.126 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.53 -62.94 1.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.898 2.185 . . . . 0.0 116.898 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -95.14 -42.42 8.59 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -160.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.669 2.388 . . . . 0.0 111.667 -175.556 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -137.23 155.84 49.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.217 1.407 . . . . 0.0 112.109 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 54.3 33.66 18.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.697 1.599 . . . . 0.0 114.402 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 tpp -65.21 109.54 2.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.337 -0.852 . . . . 0.0 111.338 -173.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 10.4 ttp85 -68.09 149.72 49.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.353 1.461 . . . . 0.0 112.175 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.78 13.45 11.53 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.5 m 48.37 -96.0 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.796 2.038 . . . . 0.0 115.159 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -131.21 95.92 3.9 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 121.169 1.804 . . . . 0.0 110.463 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.99 -39.06 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.26 1.024 . . . . 0.0 110.778 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.31 33.04 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 125.818 1.675 . . . . 0.0 114.986 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.28 -59.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.11 1.364 . . . . 0.0 110.576 166.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.55 35.54 21.14 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.406 1.482 . . . . 0.0 114.063 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -57.08 164.46 1.65 Allowed 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.405 1.482 . . . . 0.0 111.479 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -33.74 -43.44 0.13 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 -175.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.1 -29.85 49.22 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.108 -1.62 . . . . 0.0 113.883 175.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -94.24 6.15 49.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.861 2.865 . . . . 0.0 112.809 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.27 -10.36 59.68 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.333 1.453 . . . . 0.0 114.069 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.8 pm0 -44.69 -28.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.999 1.32 . . . . 0.0 114.125 -174.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 tptp -49.19 -70.58 0.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.143 1.777 . . . . 0.0 113.427 163.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -66.68 -37.28 84.42 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.644 2.378 . . . . 0.0 109.754 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -53.03 -47.76 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 129.78 3.232 . . . . 0.0 111.424 168.46 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.3 -41.81 56.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.981 -1.488 . . . . 0.0 107.89 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -58.16 -34.46 70.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.356 1.862 . . . . 0.0 114.679 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -84.17 -28.13 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.175 0.898 . . . . 0.0 113.316 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -71.78 -33.2 68.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.207 1.003 . . . . 0.0 112.562 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.59 -177.41 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.658 1.183 . . . . 0.0 113.649 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.89 -28.86 69.83 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -167.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -146.53 155.41 42.5 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.185 0.994 . . . . 0.0 112.766 168.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.51 149.41 48.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.412 1.085 . . . . 0.0 112.693 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.408 ' CE2' HD21 ' A' ' 34' ' ' LEU . 37.3 t80 -141.12 -38.29 0.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -163.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.78 -43.68 1.47 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.506 1.522 . . . . 0.0 113.714 167.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.62 -39.42 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 123.681 0.792 . . . . 0.0 111.915 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.66 -40.95 76.4 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.276 172.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 30' ' ' TYR . 8.6 mt -59.03 -54.23 49.45 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.667 171.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 tp -49.06 -55.51 11.88 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.318 1.047 . . . . 0.0 111.583 -176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -66.48 -43.16 86.19 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.815 0.817 . . . . 0.0 112.107 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 t -60.16 -41.53 93.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.75 0.786 . . . . 0.0 110.594 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 57' ' ' LEU . 32.0 mm-40 -74.4 -49.83 20.97 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 125.771 1.628 . . . . 0.0 111.378 -171.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 57' ' ' LEU . 1.9 pp -57.59 -42.27 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.543 -0.723 . . . . 0.0 110.843 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.64 -27.1 62.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.273 -1.371 . . . . 0.0 113.31 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -69.82 -23.24 63.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.864 -1.147 . . . . 0.0 111.589 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.09 -46.85 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 120.303 -1.498 . . . . 0.0 110.35 171.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.51 -49.72 67.93 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.333 1.053 . . . . 0.0 113.502 -173.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -115.51 -32.64 5.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.516 1.126 . . . . 0.0 112.771 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.9 -15.15 73.76 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 114.487 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 78.2 p 53.21 38.28 27.19 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.004 2.122 . . . . 0.0 115.163 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -75.38 0.06 18.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -49.28 131.36 20.02 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 127.881 2.473 . . . . 0.0 113.884 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 m -130.17 -158.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.478 1.911 . . . . 0.0 111.305 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -57.82 -176.66 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.583 1.953 . . . . 0.0 113.805 164.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.55 -10.76 1.55 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -46.72 -61.84 1.66 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.723 1.762 . . . . 0.0 110.983 166.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -70.41 -36.59 74.12 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.989 -1.069 . . . . 0.0 112.822 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -50.4 -54.69 20.01 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.039 0.936 . . . . 0.0 110.245 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -61.98 -44.53 96.54 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 125.235 1.414 . . . . 0.0 112.808 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.542 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -52.6 -52.19 56.38 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.78 1.627 . . . . 0.0 111.766 171.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 39' ' ' ILE . 2.9 mm? -81.28 -22.43 38.64 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.914 -1.741 . . . . 0.0 114.047 -173.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.8 p -83.18 -27.51 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 119.22 0.918 . . . . 0.0 111.877 169.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.1 t -72.01 -30.35 65.13 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.405 -1.434 . . . . 0.0 112.194 173.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.91 -56.94 4.8 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.951 0.501 . . . . 0.0 110.611 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -36.04 71.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.997 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.63 -24.39 21.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.44 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 -40.44 5.3 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 171.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.96 -52.57 55.53 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.05 -34.82 73.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 111.752 -174.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.46 -62.99 1.35 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.207 1.803 . . . . 0.0 115.76 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -103.84 -39.56 6.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -158.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.502 1.921 . . . . 0.0 112.484 -177.706 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -62.14 158.3 17.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.951 1.301 . . . . 0.0 113.358 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -139.57 171.2 14.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.773 1.229 . . . . 0.0 113.132 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -73.01 166.46 23.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.588 1.155 . . . . 0.0 112.102 165.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 30.1 ttp180 -147.23 157.37 43.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.362 1.065 . . . . 0.0 112.52 178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 20.1 mmt -127.07 84.13 2.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.971 0.908 . . . . 0.0 110.472 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -34.12 -39.01 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 -177.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 140.82 15.4 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 122.142 2.246 . . . . 0.0 113.706 141.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -103.13 -43.04 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.251 1.42 . . . . 0.0 112.294 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.66 4.28 36.97 Favored Glycine 0 CA--C 1.545 1.966 0 C-N-CA 124.16 0.886 . . . . 0.0 114.751 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.09 -64.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.663 1.232 . . . . 0.0 111.272 169.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.94 33.19 14.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 114.307 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.45 168.97 3.21 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.447 1.499 . . . . 0.0 111.588 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -37.11 -43.06 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -173.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.52 -31.95 53.78 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.274 -1.517 . . . . 0.0 114.008 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -93.17 6.99 46.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.364 . . . . 0.0 113.287 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.38 -10.09 52.71 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.724 1.61 . . . . 0.0 114.388 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.446 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -46.31 -27.98 1.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -175.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.3 OUTLIER -48.28 -69.1 0.13 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.564 1.945 . . . . 0.0 114.167 162.156 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.473 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -69.36 -36.19 76.6 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 127.688 2.395 . . . . 0.0 109.809 -173.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -50.24 -50.43 49.92 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.076 2.95 . . . . 0.0 111.372 167.184 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -73.85 -41.96 61.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 117.339 -1.744 . . . . 0.0 108.451 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.16 -23.08 67.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.322 1.849 . . . . 0.0 114.966 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.3 pt -92.13 -27.8 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 119.216 0.916 . . . . 0.0 113.238 167.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.47 -38.12 83.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.799 0.84 . . . . 0.0 111.481 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.2 -178.01 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.748 1.219 . . . . 0.0 113.862 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -63.27 -32.94 74.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 143.84 44.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.406 1.482 . . . . 0.0 113.419 -175.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -69.96 80.79 0.48 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.664 1.986 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.8 -27.38 61.1 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -158.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.76 50.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.461 1.028 . . . . 0.0 113.131 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.49 -39.33 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.985 1.314 . . . . 0.0 112.2 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -60.6 -41.5 94.87 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 121.344 -0.848 . . . . 0.0 110.846 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.75 -36.88 85.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.08 -1.438 . . . . 0.0 111.836 171.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.68 -56.19 25.15 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 120.643 1.565 . . . . 0.0 111.044 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -63.62 -37.21 86.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.67 1.123 . . . . 0.0 112.027 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -62.66 -45.79 91.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.672 0.748 . . . . 0.0 110.442 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.75 -50.63 48.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.892 1.677 . . . . 0.0 111.657 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -56.96 -41.8 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.473 -0.767 . . . . 0.0 111.308 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.16 -26.13 62.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.421 -1.312 . . . . 0.0 113.676 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.38 -31.49 71.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.372 0.987 . . . . 0.0 111.898 170.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.406 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.9 mp -80.55 -54.02 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.629 -1.294 . . . . 0.0 110.631 169.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.89 -39.42 94.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.747 1.219 . . . . 0.0 113.495 -166.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.9 t -126.87 -30.56 2.73 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.636 1.174 . . . . 0.0 113.624 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 -19.44 74.85 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.418 1.008 . . . . 0.0 113.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.267 73.6 p 49.48 49.09 20.45 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.502 1.921 . . . . 0.0 113.376 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -33.88 -61.16 0.36 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.962 2.505 . . . . 0.0 114.478 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 53.56 78.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.668 2.787 . . . . 0.0 113.318 168.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' VAL . . . . . 0.463 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -140.09 158.67 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.337 1.855 . . . . 0.0 110.513 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -74.96 64.17 1.29 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.103 2.561 . . . . 0.0 115.299 -165.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.39 -10.99 64.68 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.798 2.618 . . . . 0.0 115.038 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -59.6 -60.79 3.28 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.609 1.705 . . . . 0.0 109.963 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' THR . . . . . 0.463 ' H ' HG13 ' B' ' 49' ' ' VAL . 4.7 t -66.64 -32.9 74.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -55.81 -54.27 46.57 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.666 1.186 . . . . 0.0 110.239 170.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.476 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.6 tptt -60.99 -42.08 97.72 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.375 1.47 . . . . 0.0 112.44 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -58.43 -43.35 88.68 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 120.638 1.563 . . . . 0.0 112.125 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.68 -43.89 71.59 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.076 -1.64 . . . . 0.0 112.712 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.5 p -79.19 -26.51 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 122.771 0.429 . . . . 0.0 111.742 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -69.96 -37.76 75.91 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.729 -1.232 . . . . 0.0 111.758 172.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.84 -57.53 5.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.439 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.76 99.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.247 0.619 . . . . 0.0 112.509 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.35 -24.55 60.14 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.607 1.163 . . . . 0.0 112.573 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -115.97 -21.92 9.27 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -58.8 -53.76 54.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.614 1.552 . . . . 0.0 111.99 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -81.07 -39.8 25.16 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.529 1.157 . . . . 0.0 112.777 -171.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -74.42 -60.85 2.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.499 -2.137 . . . . 0.0 115.529 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -108.8 -44.96 3.91 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -158.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.945 2.098 . . . . 0.0 112.032 -174.239 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -73.34 -18.71 61.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -173.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -151.91 178.27 9.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.66 1.584 . . . . 0.0 111.136 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.7 mtm -72.38 155.14 40.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.764 0.825 . . . . 0.0 111.456 166.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 19.1 ttp180 -140.67 139.7 34.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.447 1.099 . . . . 0.0 111.118 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.4 mmt -126.48 71.75 1.3 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.98 0.895 . . . . 0.0 108.827 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 27.9 m -54.93 114.68 1.83 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.091 -172.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.294 4.1 mt 54.52 69.15 0.75 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.289 3.036 . . . . 0.0 114.722 175.102 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.98 -29.25 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.424 1.489 . . . . 0.0 111.28 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.61 7.78 61.41 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 125.199 1.381 . . . . 0.0 114.206 -171.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -138.15 -64.22 0.54 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.572 1.549 . . . . 0.0 110.887 166.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.17 35.08 18.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.461 1.504 . . . . 0.0 114.158 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -60.8 168.03 2.5 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.681 1.592 . . . . 0.0 111.99 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -38.68 -41.49 0.71 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -172.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.31 -33.27 49.4 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.32 -1.487 . . . . 0.0 113.596 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.71 9.51 29.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.955 2.502 . . . . 0.0 113.04 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -73.23 -9.93 59.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.422 1.489 . . . . 0.0 114.631 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.71 -31.29 0.45 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.885 1.674 . . . . 0.0 114.11 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tptt -48.12 -70.53 0.09 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.458 1.903 . . . . 0.0 113.074 164.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -69.1 -35.14 76.13 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 127.373 2.269 . . . . 0.0 109.782 -173.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.54 -52.57 63.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.034 1.334 . . . . 0.0 108.524 169.085 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.67 -41.72 75.12 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 116.483 -2.087 . . . . 0.0 106.244 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -57.92 -36.64 72.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.274 2.23 . . . . 0.0 115.471 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.4 pt -80.32 -26.33 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.718 1.599 . . . . 0.0 112.656 171.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.32 -31.5 60.63 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.412 1.085 . . . . 0.0 112.498 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.7 pt -80.84 -175.0 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 125.258 1.423 . . . . 0.0 113.397 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -63.74 -26.45 68.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -173.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -142.58 139.01 31.2 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.022 1.329 . . . . 0.0 112.177 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.16 73.76 0.94 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.706 2.003 . . . . 0.0 112.212 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.54 -24.71 65.57 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -159.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.71 -37.3 63.15 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.599 -1.313 . . . . 0.0 112.573 174.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 HG21 ' B' ' 32' ' ' ILE . 2.0 mp -69.82 -38.03 74.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 O-C-N 121.371 -0.831 . . . . 0.0 111.931 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -55.22 -43.52 74.59 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.145 -0.972 . . . . 0.0 110.394 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -54.95 40.53 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 116.295 -1.812 . . . . 0.0 110.558 170.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 tp -46.25 -52.95 11.56 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.611 1.55 . . . . 0.0 111.67 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -68.95 -44.22 73.42 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.715 0.769 . . . . 0.0 112.442 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 t -58.27 -41.76 85.03 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.483 1.135 . . . . 0.0 111.146 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HB3' HD11 ' A' ' 57' ' ' LEU . 15.7 mm-40 -75.15 -51.86 12.38 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.658 1.983 . . . . 0.0 110.186 -170.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.488 HG23 HD12 ' A' ' 57' ' ' LEU . 2.0 pp -57.87 -42.34 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.324 -0.86 . . . . 0.0 111.395 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.45 -27.06 63.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.973 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.45 -25.63 65.09 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.728 1.149 . . . . 0.0 111.726 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.89 -48.71 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.658 -1.276 . . . . 0.0 110.026 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.54 -45.63 65.13 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -116.08 -31.68 5.62 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.402 1.081 . . . . 0.0 112.986 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.68 -16.34 71.94 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 113.452 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m 59.37 37.09 23.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.522 1.929 . . . . 0.0 113.929 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -66.88 138.22 57.15 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.097 -1.002 . . . . 0.0 110.191 161.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -164.16 130.55 3.08 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.76 1.224 . . . . 0.0 109.95 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.6 m -136.71 -157.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.551 1.54 . . . . 0.0 109.853 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -49.91 178.72 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.044 1.338 . . . . 0.0 114.213 156.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.31 -6.55 0.99 Allowed Glycine 0 N--CA 1.474 1.2 0 O-C-N 120.17 -1.581 . . . . 0.0 116.888 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 m -48.35 -61.69 1.87 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.52 2.16 . . . . 0.0 111.597 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -66.72 -39.47 88.01 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.47 1.032 . . . . 0.0 112.738 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -51.4 -55.12 20.34 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.657 1.183 . . . . 0.0 110.802 170.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.497 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -61.66 -44.08 97.65 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 125.435 1.494 . . . . 0.0 112.386 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER -51.21 -52.29 45.86 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.781 1.628 . . . . 0.0 112.374 169.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 39' ' ' ILE . 3.2 mm? -80.33 -26.39 38.79 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 119.79 -1.819 . . . . 0.0 113.989 -173.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -80.01 -26.98 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.938 0.79 . . . . 0.0 111.915 171.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.7 t -72.83 -32.62 65.61 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.301 -1.5 . . . . 0.0 112.604 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.78 -58.7 3.28 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.529 0.732 . . . . 0.0 109.095 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -38.47 81.5 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.009 176.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.51 -18.78 12.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -120.88 -21.67 6.5 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 160.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.25 -50.75 51.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 121.686 2.039 . . . . 0.0 112.879 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -67.23 -32.79 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.907 1.283 . . . . 0.0 112.103 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -90.62 -60.16 1.99 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.539 1.936 . . . . 0.0 115.905 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -113.74 -41.49 3.58 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -159.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.142 2.177 . . . . 0.0 112.114 -176.294 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -69.35 159.55 32.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.451 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -141.81 161.78 37.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.513 1.525 . . . . 0.0 111.482 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 14.6 tpt -68.64 146.87 52.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.064 0.945 . . . . 0.0 111.641 170.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -126.55 151.88 47.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.734 2.014 . . . . 0.0 110.824 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.2 mmt -121.32 10.1 10.51 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.509 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 55.4 m 50.23 -90.4 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.012 2.125 . . . . 0.0 115.095 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.31 94.24 3.63 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 121.032 1.742 . . . . 0.0 110.283 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mt -76.66 -41.76 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.729 0.812 . . . . 0.0 110.124 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.51 -0.15 29.31 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.478 1.513 . . . . 0.0 113.973 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -133.0 -75.8 0.49 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.172 1.389 . . . . 0.0 109.58 171.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 37.33 26.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.22 166.33 19.68 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.011 -1.056 . . . . 0.0 112.709 168.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -18.32 -53.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 119.576 3.176 . . . . 0.0 119.576 -161.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -76.24 -26.91 56.5 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 120.926 1.694 . . . . 0.0 113.555 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -103.23 -5.11 23.46 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.957 2.903 . . . . 0.0 112.394 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.88 -10.93 4.5 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -44.15 -30.57 0.79 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.906 1.684 . . . . 0.0 114.415 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -48.59 -67.38 0.27 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.011 1.724 . . . . 0.0 112.746 164.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.485 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -70.01 -36.79 75.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.345 2.258 . . . . 0.0 109.78 -173.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -50.59 68.13 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.036 1.334 . . . . 0.0 108.288 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.408 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.5 tm? -69.97 -44.79 68.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -165.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -56.54 -37.96 71.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.246 2.619 . . . . 0.0 115.581 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.83 -27.64 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.591 1.087 . . . . 0.0 112.416 172.227 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -78.31 -30.01 48.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.198 0.999 . . . . 0.0 112.905 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.2 pt -79.3 -173.7 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.39 1.476 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -61.84 -28.52 69.55 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -172.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -145.79 144.93 30.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.993 0.917 . . . . 0.0 113.014 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.28 82.44 0.75 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.5 1.92 . . . . 0.0 111.867 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' TYR . . . . . 0.74 ' CE2' HD11 ' B' ' 34' ' ' LEU . 31.3 t80 -72.15 -42.1 66.35 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -158.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.634 ' HA ' HD13 ' B' ' 34' ' ' LEU . . . -40.96 -39.79 1.25 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.339 1.856 . . . . 0.0 116.003 -173.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.408 HG21 HG21 ' A' ' 32' ' ' ILE . 1.9 mp -66.5 -35.73 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.523 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -57.88 -41.35 82.34 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.262 -0.899 . . . . 0.0 110.77 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.74 HD11 ' CE2' ' B' ' 30' ' ' TYR . 4.4 mp -64.21 -43.13 95.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.407 171.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.75 -56.83 13.98 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.379 1.445 . . . . 0.0 110.638 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -64.4 -37.74 88.58 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 118.555 0.616 . . . . 0.0 111.846 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.8 t -60.9 -45.74 93.42 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.368 1.08 . . . . 0.0 111.116 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.38 -54.56 23.01 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.702 2.001 . . . . 0.0 111.008 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -42.21 79.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.58 -25.43 60.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -65.61 -30.27 70.96 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.379 0.99 . . . . 0.0 110.534 172.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.29 -44.85 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.297 -0.877 . . . . 0.0 110.879 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.734 1.213 . . . . 0.0 113.614 -174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.2 t -124.04 -28.0 3.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.54 1.136 . . . . 0.0 113.523 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -12.36 59.03 Favored Glycine 0 CA--C 1.541 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 114.06 166.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.285 46.5 p 51.53 45.05 28.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.231 2.212 . . . . 0.0 114.354 173.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 155.78 5.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.425 1.09 . . . . 0.0 113.635 169.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -140.79 110.09 6.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.329 1.052 . . . . 0.0 110.762 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -161.67 164.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.107 1.763 . . . . 0.0 110.398 173.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.76 -168.7 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.51 1.924 . . . . 0.0 112.227 167.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.94 -7.24 0.16 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 126.791 2.139 . . . . 0.0 118.177 -176.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -47.06 -65.41 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.633 1.717 . . . . 0.0 111.524 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t -69.33 -35.83 76.31 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.155 -0.965 . . . . 0.0 113.109 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -49.98 -55.14 15.81 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.3 1.04 . . . . 0.0 109.92 170.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.49 ' HA ' HG12 ' B' ' 58' ' ' VAL . 19.9 tptt -62.81 -46.73 86.6 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 117.178 -1.392 . . . . 0.0 112.564 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.552 ' O ' HG22 ' B' ' 59' ' ' THR . 12.9 mptt -52.53 -49.89 63.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.764 1.62 . . . . 0.0 111.932 173.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.34 -24.05 32.25 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 119.967 -1.708 . . . . 0.0 114.798 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.6 p -81.67 -26.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.457 -0.777 . . . . 0.0 111.671 170.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.1 t -70.1 -36.34 74.79 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.699 -1.25 . . . . 0.0 111.019 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.68 -57.8 3.95 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.852 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -44.0 97.39 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.114 0.965 . . . . 0.0 112.708 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.74 -19.79 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.952 1.301 . . . . 0.0 112.701 -174.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.95 -32.19 4.85 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 168.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -52.77 -56.49 15.28 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.697 1.135 . . . . 0.0 112.125 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -83.3 -40.89 18.92 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.79 1.281 . . . . 0.0 113.12 -166.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.45 -55.32 12.24 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 112.242 -2.254 . . . . 0.0 114.969 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.16 -47.64 3.18 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -160.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.818 2.047 . . . . 0.0 112.712 -172.577 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -146.92 160.87 41.8 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.24 1.416 . . . . 0.0 112.384 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -156.35 163.07 39.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.518 1.527 . . . . 0.0 111.586 -176.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 tpt -66.87 145.95 54.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.303 1.041 . . . . 0.0 111.601 168.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 17.9 ttp180 -128.87 151.72 49.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.27 1.828 . . . . 0.0 111.283 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.82 8.89 10.58 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.539 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.275 70.4 m 49.13 -83.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.525 2.33 . . . . 0.0 115.963 -176.586 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.61 91.18 2.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 122.058 2.208 . . . . 0.0 113.325 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.36 -30.04 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.091 1.756 . . . . 0.0 111.11 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 0.59 73.45 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 115.301 0.88 . . . . 0.0 115.301 -172.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.44 -58.54 0.83 Allowed 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.04 1.42 . . . . 0.0 110.438 170.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.87 42.04 27.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.551 1.54 . . . . 0.0 113.955 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.85 98.38 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 125.466 1.507 . . . . 0.0 113.489 -159.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.307 3.7 t 52.68 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 128.565 2.746 . . . . 0.0 115.204 173.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.68 -27.87 68.67 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.54 -1.35 . . . . 0.0 112.746 165.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -100.8 8.35 43.26 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.358 1.063 . . . . 0.0 112.079 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -67.49 -10.35 50.82 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.738 1.215 . . . . 0.0 114.143 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.55 -28.52 0.59 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.8 tptp -50.87 -67.36 0.26 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.459 1.503 . . . . 0.0 113.217 165.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.06 -36.84 78.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.879 2.472 . . . . 0.0 109.584 -173.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -52.37 -46.49 66.21 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 129.274 3.029 . . . . 0.0 111.567 166.856 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.8 -42.97 63.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.606 1.194 . . . . 0.0 108.524 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -64.32 -15.36 60.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.048 2.139 . . . . 0.0 115.701 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -99.65 -26.62 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.402 1.001 . . . . 0.0 113.52 164.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 tp -71.41 -31.61 67.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.978 1.311 . . . . 0.0 112.767 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.5 -179.47 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.545 1.138 . . . . 0.0 113.352 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -66.73 -26.41 66.98 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -170.346 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -130.61 156.36 45.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.219 1.408 . . . . 0.0 112.802 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -69.39 150.17 47.58 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.549 -0.72 . . . . 0.0 111.748 174.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -143.72 -138.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 118.121 -0.943 . . . . 0.0 112.659 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 51.11 -40.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.225 3.01 . . . . 0.0 117.176 -154.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mm -71.85 -28.39 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -170.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.33 -39.72 80.2 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.435 -0.791 . . . . 0.0 109.903 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.95 -47.77 76.46 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.799 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -55.13 23.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.586 1.155 . . . . 0.0 111.522 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -65.33 -41.16 94.23 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.785 0.802 . . . . 0.0 112.358 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t -61.68 -43.74 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.38 0.61 . . . . 0.0 110.602 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.84 -55.94 16.47 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.021 1.728 . . . . 0.0 110.87 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.41 -43.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.063 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.53 -27.77 62.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.87 -24.75 64.38 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.527 1.058 . . . . 0.0 110.744 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.44 -47.9 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.049 -1.032 . . . . 0.0 110.479 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.19 -47.0 81.48 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -172.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 t -122.17 -31.97 3.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.858 1.263 . . . . 0.0 113.296 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.18 68.67 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 121.004 -1.06 . . . . 0.0 113.802 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m 57.15 43.32 24.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 0.0 114.002 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 150.13 33.43 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.349 -0.844 . . . . 0.0 110.81 160.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -146.39 127.4 14.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.417 1.087 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.5 168.44 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.752 2.021 . . . . 0.0 109.622 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -63.53 -168.7 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.993 1.717 . . . . 0.0 111.791 165.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.5 0.2 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 118.32 2.088 . . . . 0.0 118.32 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -48.06 -63.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 120.034 1.917 . . . . 0.0 111.776 171.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -69.26 -35.6 76.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.887 -1.133 . . . . 0.0 113.404 -175.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -50.75 -55.89 14.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.156 0.982 . . . . 0.0 109.841 169.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HA ' HG12 ' A' ' 58' ' ' VAL . 25.7 tptt -61.53 -45.93 92.1 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 125.043 1.337 . . . . 0.0 112.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.55 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -53.84 -51.52 63.32 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.263 1.392 . . . . 0.0 111.333 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.91 -27.53 39.93 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.725 -1.859 . . . . 0.0 114.135 -173.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.8 p -76.18 -28.34 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.548 -0.72 . . . . 0.0 111.686 172.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.6 t -72.31 -33.94 67.75 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.538 -1.351 . . . . 0.0 112.33 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.5 -55.35 16.4 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.179 0.592 . . . . 0.0 110.108 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -36.19 75.84 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.31 -21.67 15.77 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.518 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.439 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -110.19 -39.94 4.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 168.067 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.73 -47.02 85.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -76.41 -35.52 58.53 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.923 1.289 . . . . 0.0 112.635 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -89.7 -57.6 2.81 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.57 -46.01 4.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.927 1.291 . . . . 0.0 113.326 -170.463 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -148.94 154.9 40.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.103 1.361 . . . . 0.0 112.498 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -123.19 40.39 3.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.585 1.554 . . . . 0.0 111.968 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 50.1 tpp -62.0 122.38 15.34 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.835 -1.166 . . . . 0.0 111.155 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 29.1 ttp-105 -81.89 150.19 27.88 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.156 1.382 . . . . 0.0 112.72 -172.402 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.7 mmt -126.81 78.32 1.79 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.344 0.592 . . . . 0.0 110.6 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.465 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 57.9 m -51.41 113.76 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.742 0.782 . . . . 0.0 112.112 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.269 2.0 mt 49.91 72.29 0.33 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 129.841 3.257 . . . . 0.0 115.456 174.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -65.69 -32.24 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.799 1.24 . . . . 0.0 111.261 168.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.41 57.37 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.923 1.249 . . . . 0.0 114.159 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -138.49 -63.36 0.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.572 1.549 . . . . 0.0 110.462 169.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.0 39.5 7.8 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.351 1.86 . . . . 0.0 113.887 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -61.81 169.09 2.68 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.541 1.536 . . . . 0.0 111.7 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -36.88 -44.86 0.52 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.55 -34.05 58.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.287 -1.508 . . . . 0.0 113.41 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -91.47 10.37 28.0 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.609 2.364 . . . . 0.0 112.481 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.14 -8.63 54.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.78 1.632 . . . . 0.0 113.75 -177.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -45.37 -29.03 0.96 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.977 1.262 . . . . 0.0 114.027 -176.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 6.7 tptp -48.34 -69.9 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.034 1.733 . . . . 0.0 113.341 163.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.99 -35.22 76.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 127.388 2.275 . . . . 0.0 110.108 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -54.0 -46.76 71.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.335 3.054 . . . . 0.0 111.143 168.416 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.84 -45.05 60.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 118.349 -1.34 . . . . 0.0 107.823 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -59.86 -31.09 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.333 1.853 . . . . 0.0 114.658 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.19 -28.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 171.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.68 -37.15 79.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.056 0.942 . . . . 0.0 111.692 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.7 pt -78.15 -177.79 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.633 1.173 . . . . 0.0 114.028 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -64.22 -26.45 68.51 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -141.54 140.71 33.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.942 1.297 . . . . 0.0 112.161 -177.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.44 74.03 1.02 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.374 1.87 . . . . 0.0 112.151 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' TYR . . . . . 0.478 ' CZ ' HD21 ' B' ' 34' ' ' LEU . 21.3 t80 -63.34 -36.47 83.8 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -160.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.65 -44.12 8.78 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.16 1.384 . . . . 0.0 113.824 172.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.01 -39.71 86.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.54 0.736 . . . . 0.0 111.672 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -57.12 -40.45 77.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.523 -0.735 . . . . 0.0 110.614 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.478 HD21 ' CZ ' ' B' ' 30' ' ' TYR . 7.5 mt -62.32 -46.65 87.76 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 117.37 -1.3 . . . . 0.0 110.383 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.03 -54.95 27.75 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.195 1.361 . . . . 0.0 111.694 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t -68.29 -38.81 82.03 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.968 0.89 . . . . 0.0 111.495 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.25 -42.33 98.44 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.859 0.837 . . . . 0.0 110.964 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.88 -55.29 13.44 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.922 2.089 . . . . 0.0 110.695 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.92 -40.83 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 121.894 -0.504 . . . . 0.0 111.438 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.05 -26.71 62.3 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 118.805 -1.158 . . . . 0.0 113.568 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.63 -33.58 75.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.568 1.076 . . . . 0.0 111.507 171.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.32 -49.89 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 120.383 -1.448 . . . . 0.0 110.279 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.25 -43.5 81.73 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -126.62 -25.54 3.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 113.586 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.77 74.29 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 119.598 1.09 . . . . 0.0 112.99 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 58.03 45.82 17.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.469 1.908 . . . . 0.0 113.123 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -58.98 143.95 46.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.297 1.039 . . . . 0.0 110.598 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -147.06 118.98 8.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.528 1.131 . . . . 0.0 111.417 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -165.4 172.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.442 2.297 . . . . 0.0 108.823 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.02 -169.8 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.245 1.818 . . . . 0.0 113.196 161.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.59 -6.41 0.47 Allowed Glycine 0 N--CA 1.473 1.152 0 N-CA-C 117.56 1.784 . . . . 0.0 117.56 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -47.71 -64.02 0.9 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.298 2.049 . . . . 0.0 111.704 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -65.99 -37.1 85.08 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.742 -1.224 . . . . 0.0 113.197 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -52.26 -56.32 15.54 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.7 tptt -61.83 -44.85 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.506 1.522 . . . . 0.0 112.736 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.431 ' O ' HG22 ' B' ' 59' ' ' THR . 1.3 mptm? -54.17 -46.66 72.38 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.926 1.694 . . . . 0.0 112.313 172.13 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.265 1.2 pp -83.42 -24.6 31.84 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.067 -1.645 . . . . 0.0 114.94 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.6 p -84.03 -27.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.501 -0.75 . . . . 0.0 112.1 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.431 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.2 t -68.3 -36.27 79.07 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.546 -1.346 . . . . 0.0 110.813 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -60.72 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.451 172.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.56 99.02 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.299 1.039 . . . . 0.0 112.004 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.16 -22.14 64.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.998 1.319 . . . . 0.0 113.316 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -111.19 -31.16 7.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 160.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.883 1.674 . . . . 0.0 112.281 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -39.67 16.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.787 1.28 . . . . 0.0 113.204 -170.257 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -69.48 -56.14 8.24 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.172 -2.285 . . . . 0.0 115.391 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -114.03 -48.61 2.89 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -157.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.257 9.5 p30 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.462 1.505 . . . . 0.0 114.027 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.468 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -80.35 155.07 27.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.636 1.175 . . . . 0.0 112.824 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -123.23 144.81 49.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.389 1.476 . . . . 0.0 110.288 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.31 163.26 20.02 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.997 1.719 . . . . 0.0 109.662 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 32.8 ttp180 -136.35 144.43 44.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.317 1.047 . . . . 0.0 111.671 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.4 mmt -125.89 68.1 1.18 Allowed 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.756 0.66 . . . . 0.0 110.196 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 104.11 5.42 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.501 -0.762 . . . . 0.0 109.386 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -131.45 143.56 50.52 Favored 'General case' 0 CA--C 1.534 0.345 1 C-N-CA 135.378 5.471 . . . . 0.0 106.631 -3.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.76 -32.38 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.857 -0.527 . . . . 0.0 111.907 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.08 10.89 57.0 Favored Glycine 0 CA--C 1.546 1.986 0 C-N-CA 124.539 1.066 . . . . 0.0 114.131 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.81 -70.38 0.35 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.866 1.666 . . . . 0.0 111.108 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.16 55.87 7.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.54 2.336 . . . . 0.0 115.253 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' HB3' ' HE ' ' A' ' 63' ' ' ARG . 21.1 p90 -128.77 159.61 35.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 15' ' ' GLU 0.312 8.9 t 21.96 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 128.742 2.817 . . . . 0.0 117.185 -157.623 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' H ' HG23 ' A' ' 14' ' ' THR . 45.3 mt-10 -68.7 -17.78 64.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.247 1.419 . . . . 0.0 113.095 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -112.17 1.21 16.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.353 2.261 . . . . 0.0 112.031 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.85 -15.45 61.87 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -43.91 -28.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.662 1.585 . . . . 0.0 114.408 -176.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.5 tptt -47.7 -71.8 0.06 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.417 1.487 . . . . 0.0 111.933 164.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.656 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.6 mm? -69.29 -36.0 76.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.859 1.663 . . . . 0.0 110.42 -174.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -51.05 68.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.52 -43.36 69.79 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 116.262 -2.175 . . . . 0.0 105.743 -165.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -54.65 -44.2 73.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.332 2.253 . . . . 0.0 115.597 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -76.2 -25.78 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.934 1.697 . . . . 0.0 112.079 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.69 -30.32 41.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.685 0.794 . . . . 0.0 112.744 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 pt -77.34 -174.31 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 124.823 1.249 . . . . 0.0 112.856 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -61.34 -30.73 70.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -143.13 145.23 32.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.754 1.222 . . . . 0.0 112.443 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.05 67.84 0.44 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.616 2.366 . . . . 0.0 113.289 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -57.39 -25.49 59.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.139 2.176 . . . . 0.0 116.765 -163.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.74 -40.43 54.59 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.106 1.321 . . . . 0.0 112.722 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 HG21 ' B' ' 32' ' ' ILE . 3.6 mm -67.9 -30.54 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.77 -43.9 90.51 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.462 -0.774 . . . . 0.0 110.797 171.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.21 -39.67 95.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.832 172.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -52.54 64.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.696 1.589 . . . . 0.0 111.043 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 t -67.31 -37.1 82.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 122.074 0.94 . . . . 0.0 112.216 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -62.91 -44.47 96.01 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 121.713 0.768 . . . . 0.0 110.811 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.49 -52.05 50.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.592 1.957 . . . . 0.0 110.725 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG21 HG21 ' B' ' 39' ' ' ILE . 2.2 pp -59.85 -40.69 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 121.85 -0.532 . . . . 0.0 111.437 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.69 -25.45 62.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.364 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -61.8 -32.1 72.37 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.738 1.154 . . . . 0.0 112.146 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 42' ' ' ILE . 2.6 mp -77.32 -53.42 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 121.221 -0.925 . . . . 0.0 110.616 170.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -41.22 86.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -166.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.2 t -126.21 -28.91 3.07 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.605 1.162 . . . . 0.0 113.54 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.94 -15.7 69.62 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-N 119.417 1.008 . . . . 0.0 113.592 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.3 p 50.07 55.3 9.65 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.274 1.829 . . . . 0.0 112.189 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -32.44 -56.87 0.34 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 128.196 2.598 . . . . 0.0 116.246 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 52.22 68.15 0.86 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.185 2.194 . . . . 0.0 112.928 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 162.72 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.649 1.98 . . . . 0.0 109.818 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -64.3 -172.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 112.093 170.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.01 -6.39 0.13 Allowed Glycine 0 N--CA 1.473 1.105 0 N-CA-C 118.596 2.199 . . . . 0.0 118.596 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.6 m -45.4 -67.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.703 1.752 . . . . 0.0 111.872 168.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -70.72 -32.12 69.22 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.319 -0.863 . . . . 0.0 112.548 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -53.95 -55.41 27.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.417 1.087 . . . . 0.0 110.507 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.2 tptt -62.89 -44.49 95.97 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.207 1.403 . . . . 0.0 111.96 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 59' ' ' THR . 12.8 mptt -53.12 -48.38 67.91 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.91 1.232 . . . . 0.0 111.399 170.401 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.3 -40.19 74.41 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 119.801 -1.812 . . . . 0.0 112.976 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.6 p -80.46 -26.84 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 122.891 0.477 . . . . 0.0 111.964 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.9 t -70.99 -33.24 70.23 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.693 -1.254 . . . . 0.0 112.117 172.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 56' ' ' LYS . 1.4 mm? -50.4 -55.22 16.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.583 0.753 . . . . 0.0 109.98 176.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.1 84.71 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.257 -0.402 . . . . 0.0 112.041 174.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.38 -19.96 17.15 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.491 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' A' ' 13' ' ' PHE . 71.5 mmt-85 -119.41 -23.34 6.7 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 165.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -68.85 -49.42 58.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.81 2.095 . . . . 0.0 112.85 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -69.82 -33.86 72.89 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.041 1.336 . . . . 0.0 112.171 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -93.55 -62.15 1.42 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -107.16 -41.66 5.08 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -156.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.367 2.267 . . . . 0.0 111.968 -176.266 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 54.83 46.37 24.65 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.395 1.478 . . . . 0.0 114.339 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -76.42 43.0 0.29 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.889 1.676 . . . . 0.0 113.633 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.01 94.95 1.53 Allowed 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.813 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.591 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 40.7 ttp180 -55.58 145.25 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.757 1.623 . . . . 0.0 112.821 -174.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 18.7 mmt -123.37 74.93 1.28 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-O 121.714 0.768 . . . . 0.0 110.547 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 65.9 m -79.38 102.9 8.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.47 140.15 46.01 Favored 'General case' 0 CA--C 1.536 0.423 1 C-N-CA 136.194 5.798 . . . . 0.0 106.558 -0.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -89.12 -32.89 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.601 0.637 . . . . 0.0 112.37 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 8.84 58.82 Favored Glycine 0 CA--C 1.543 1.788 0 C-N-CA 123.981 0.8 . . . . 0.0 114.071 -171.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -139.82 -65.54 0.47 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.669 1.588 . . . . 0.0 109.861 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 39.64 19.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.176 1.791 . . . . 0.0 113.487 -177.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -61.52 169.08 2.48 Favored 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 125.606 1.562 . . . . 0.0 112.263 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -39.02 -43.14 0.96 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -77.82 -31.28 51.58 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.273 -1.517 . . . . 0.0 113.696 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -93.55 10.33 33.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.722 2.409 . . . . 0.0 112.738 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.17 -11.17 60.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.073 1.349 . . . . 0.0 113.947 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -44.6 -27.82 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.819 1.247 . . . . 0.0 114.26 -176.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.591 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 2.5 tptt -47.91 -69.42 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.868 1.667 . . . . 0.0 113.049 163.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.495 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.06 -34.16 75.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.805 2.442 . . . . 0.0 109.947 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -62.2 -43.18 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 128.472 2.709 . . . . 0.0 110.982 173.637 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.56 -41.1 61.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.909 -1.516 . . . . 0.0 107.389 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -59.59 -33.45 71.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.344 1.458 . . . . 0.0 114.817 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 pt -82.29 -28.2 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.791 1.632 . . . . 0.0 112.871 169.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -73.06 -31.12 64.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.6 pt -80.81 -172.09 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.676 1.19 . . . . 0.0 113.909 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -47.44 -43.72 24.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.737 2.415 . . . . 0.0 114.79 -172.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -152.52 160.51 43.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.081 1.353 . . . . 0.0 111.747 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.37 139.62 57.57 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.562 1.145 . . . . 0.0 111.798 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -131.16 -31.3 1.68 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -162.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.52 39.24 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.25 1.387 . . . . 0.0 112.705 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.451 HG21 HG21 ' A' ' 32' ' ' ILE . 1.8 mp -60.36 -39.07 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.94 1.296 . . . . 0.0 112.007 178.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -60.0 -42.68 94.81 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.444 -0.785 . . . . 0.0 110.52 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.75 -43.97 97.28 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.235 171.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -55.9 -53.9 51.23 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.347 1.43 . . . . 0.0 111.703 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -67.53 -38.52 84.34 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.835 0.826 . . . . 0.0 111.639 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.0 -44.03 98.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.841 0.829 . . . . 0.0 110.584 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.75 -51.41 34.32 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.632 1.573 . . . . 0.0 111.715 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 39' ' ' ILE . 2.2 pp -59.13 -40.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.494 -0.754 . . . . 0.0 111.324 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.63 -26.82 62.72 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.844 -1.142 . . . . 0.0 113.344 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -66.35 -24.33 66.49 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.09 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.21 -52.48 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 120.77 -1.206 . . . . 0.0 110.701 167.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.3 -40.49 90.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -122.7 -30.16 3.91 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.649 1.179 . . . . 0.0 113.488 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.24 -25.99 74.99 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 119.812 1.187 . . . . 0.0 113.127 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.262 81.1 p 57.85 38.17 27.1 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.677 2.391 . . . . 0.0 112.542 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -49.17 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.95 1.3 . . . . 0.0 112.711 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 25.14 65.54 0.05 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.827 2.851 . . . . 0.0 116.251 165.234 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.17 -161.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.266 1.027 . . . . 0.0 111.654 173.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.95 173.76 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.542 1.537 . . . . 0.0 114.48 159.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.5 -7.98 0.73 Allowed Glycine 0 N--CA 1.476 1.315 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -46.63 -63.08 1.1 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.471 1.635 . . . . 0.0 110.94 167.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -72.42 -31.48 65.54 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.031 -1.043 . . . . 0.0 113.028 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -55.17 -54.7 39.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.294 1.038 . . . . 0.0 110.175 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.516 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.5 tptt -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.214 1.406 . . . . 0.0 112.551 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' HG22 ' B' ' 59' ' ' THR . 1.6 mptm? -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.387 1.449 . . . . 0.0 111.149 169.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -70.75 -35.54 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 120.135 -1.603 . . . . 0.0 113.22 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.5 p -82.86 -26.83 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.223 0.609 . . . . 0.0 112.092 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.8 t -70.02 -34.46 73.31 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.774 -1.204 . . . . 0.0 112.061 173.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.73 -58.04 4.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.673 0.789 . . . . 0.0 109.652 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -37.05 78.79 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -55.34 -19.5 9.0 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.529 0.732 . . . . 0.0 112.873 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -114.91 -40.2 3.56 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -58.77 -49.29 78.22 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.88 -35.96 62.29 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.898 1.279 . . . . 0.0 112.36 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -84.69 -60.25 2.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.57 -49.32 3.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -163.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.897 1.679 . . . . 0.0 112.737 -168.714 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -147.06 173.67 12.25 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.604 1.562 . . . . 0.0 112.228 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -131.13 160.28 35.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.445 1.498 . . . . 0.0 111.65 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.3 mtp -68.03 148.72 50.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.718 0.807 . . . . 0.0 111.846 170.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 22.8 ttp180 -128.38 150.85 49.93 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.531 1.932 . . . . 0.0 110.675 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -119.82 10.16 11.53 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.507 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 67.5 m 50.93 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.214 2.206 . . . . 0.0 114.71 -176.256 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.79 99.71 4.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.188 2.267 . . . . 0.0 111.426 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.6 -35.18 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.178 1.391 . . . . 0.0 111.428 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' HA2' HG21 ' A' ' 59' ' ' THR . . . 102.11 3.28 51.47 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 125.148 1.356 . . . . 0.0 115.493 -177.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.81 -43.26 0.35 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 118.983 1.391 . . . . 0.0 112.482 166.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.77 47.14 15.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.722 2.409 . . . . 0.0 116.053 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.43 108.45 19.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -157.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.322 3.2 t 52.39 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 129.242 3.017 . . . . 0.0 114.744 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.89 -28.23 68.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.501 1.12 . . . . 0.0 112.537 167.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -104.41 9.17 35.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.471 1.108 . . . . 0.0 112.753 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -71.27 -11.98 61.21 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -42.84 -31.19 0.46 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.843 1.657 . . . . 0.0 114.533 -174.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.4 tptp -52.27 -64.98 0.64 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.863 1.665 . . . . 0.0 112.907 167.47 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.16 -35.15 73.81 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.438 2.295 . . . . 0.0 109.735 -173.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.77 -52.35 64.26 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.065 1.346 . . . . 0.0 108.527 167.655 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.4 tm? -69.01 -44.75 72.13 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -164.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -56.02 -39.82 72.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 128.032 2.533 . . . . 0.0 114.985 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -77.49 -27.28 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.856 1.207 . . . . 0.0 112.668 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.3 tp -76.69 -30.69 56.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.342 1.057 . . . . 0.0 112.458 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.54 -174.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 125.299 1.44 . . . . 0.0 112.987 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.3 -29.25 69.75 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -168.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -151.73 152.24 32.47 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.207 1.003 . . . . 0.0 112.594 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -68.55 107.42 2.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 111.614 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -93.13 -24.67 18.18 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 -163.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.1 -34.4 21.84 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 119.945 1.248 . . . . 0.0 113.714 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.6 -36.43 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 124.179 0.992 . . . . 0.0 112.373 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -54.58 -42.95 71.67 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.913 -1.117 . . . . 0.0 110.408 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.17 -45.87 86.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.216 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.87 -55.81 15.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.335 1.425 . . . . 0.0 112.084 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -66.9 -39.82 87.55 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.917 0.865 . . . . 0.0 111.859 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -62.39 -44.7 95.84 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.42 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.35 -54.14 37.69 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.174 1.79 . . . . 0.0 110.877 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.36 -40.4 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 121.595 -0.691 . . . . 0.0 111.981 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.37 -24.06 61.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 118.783 -1.167 . . . . 0.0 113.504 174.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.41 -31.54 72.79 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.583 1.083 . . . . 0.0 111.055 169.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.03 -47.85 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.512 -1.368 . . . . 0.0 110.702 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.47 -49.83 61.82 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 t -117.83 -27.79 6.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.593 1.157 . . . . 0.0 113.249 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.58 -16.42 73.92 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.414 1.006 . . . . 0.0 113.229 170.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.318 61.9 p 54.68 35.95 25.02 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.519 2.328 . . . . 0.0 114.509 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -64.85 133.82 52.73 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.113 0.965 . . . . 0.0 110.765 171.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -156.06 112.59 3.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.41 1.884 . . . . 0.0 108.227 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.9 -172.27 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.515 1.126 . . . . 0.0 112.042 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -66.44 36.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 129.62 3.168 . . . . 0.0 117.051 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.1 -6.63 59.17 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 126.177 1.846 . . . . 0.0 115.07 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 m -60.78 -58.99 6.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.801 1.801 . . . . 0.0 110.873 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -65.15 -33.2 75.45 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.688 -1.257 . . . . 0.0 112.916 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -55.88 -58.31 8.41 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.554 1.142 . . . . 0.0 110.864 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.1 tptt -58.92 -43.15 91.06 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.914 1.286 . . . . 0.0 112.445 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.629 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -52.86 -52.38 57.5 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.043 1.292 . . . . 0.0 111.517 170.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.94 -25.43 43.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 119.505 -1.997 . . . . 0.0 114.85 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.0 p -81.96 -27.06 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.628 -0.67 . . . . 0.0 111.263 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.8 t -68.76 -33.02 73.2 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.747 -1.221 . . . . 0.0 111.504 171.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.99 -57.65 5.47 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.281 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -38.69 85.11 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.389 0.43 . . . . 0.0 111.231 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.22 -18.61 16.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.721 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -111.12 -38.34 5.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 161.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -61.55 -41.49 97.44 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 112.756 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.05 -35.75 42.08 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.603 1.561 . . . . 0.0 112.607 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -103.25 -63.25 1.19 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -174.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -75.25 -45.86 37.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.827 1.651 . . . . 0.0 114.593 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 m120 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.178 1.791 . . . . 0.0 112.813 -169.794 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -82.8 159.08 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.874 1.27 . . . . 0.0 112.833 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -129.63 122.49 29.15 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.233 1.413 . . . . 0.0 110.429 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.9 tpp -100.01 161.49 13.57 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.801 1.641 . . . . 0.0 111.254 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -131.6 146.8 52.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.133 . . . . 0.0 112.628 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.0 mmt -121.51 12.89 10.87 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' SER . . . . . 0.482 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 68.8 m 46.36 -94.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.544 2.338 . . . . 0.0 115.187 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.425 ' O ' ' HE3' ' B' ' 56' ' ' LYS . 5.5 mt -125.98 86.06 2.48 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.22 1.827 . . . . 0.0 110.594 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.21 -37.82 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.476 -0.765 . . . . 0.0 110.515 174.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.71 3.26 52.69 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.862 1.22 . . . . 0.0 114.122 -170.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.91 -59.69 0.59 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.656 1.182 . . . . 0.0 110.328 169.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.84 42.72 32.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.776 2.031 . . . . 0.0 114.257 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 108.99 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.884 0.874 . . . . 0.0 112.839 -158.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.312 3.4 t 49.88 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.738 2.815 . . . . 0.0 115.444 177.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.64 -32.1 73.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.0 1.32 . . . . 0.0 112.516 167.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -101.73 8.87 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.4 1.08 . . . . 0.0 112.479 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.79 -10.82 58.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -44.31 -31.03 0.91 Allowed 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.397 1.453 . . . . 0.0 114.065 -174.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.1 tptp -47.91 -67.74 0.25 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.504 1.522 . . . . 0.0 113.523 165.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.61 -37.5 79.84 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 127.244 2.217 . . . . 0.0 109.379 -173.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -50.92 -48.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 129.246 3.019 . . . . 0.0 111.14 168.423 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.73 -44.79 55.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.543 -1.263 . . . . 0.0 108.095 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -59.15 -37.92 78.44 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.169 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 pt -79.24 -29.36 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 173.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -71.74 -31.61 66.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 pt -84.16 -170.86 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.616 1.166 . . . . 0.0 114.058 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.18 -35.38 67.17 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.545 2.338 . . . . 0.0 115.029 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -148.93 145.19 27.28 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.889 1.276 . . . . 0.0 112.211 -176.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.42 71.61 0.66 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.126 2.171 . . . . 0.0 112.168 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' TYR . . . . . 0.414 ' CE2' HD21 ' B' ' 34' ' ' LEU . 31.1 t80 -59.73 -36.05 75.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -162.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.17 -45.36 1.32 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.027 1.731 . . . . 0.0 114.09 169.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.59 -39.13 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 121.234 -0.916 . . . . 0.0 111.542 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -57.85 -40.81 81.04 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.771 -0.581 . . . . 0.0 110.684 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.414 HD21 ' CE2' ' B' ' 30' ' ' TYR . 11.2 mt -58.55 -48.33 81.25 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.528 -1.225 . . . . 0.0 110.757 170.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -53.13 -55.74 21.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.96 1.255 . . . . 0.0 111.145 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -66.07 -39.26 89.93 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 119.464 1.029 . . . . 0.0 112.285 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -63.14 -41.79 99.36 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.966 0.888 . . . . 0.0 111.023 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.53 -55.79 13.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.813 2.045 . . . . 0.0 110.824 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.08 -41.79 81.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 121.757 -0.59 . . . . 0.0 111.442 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.8 -28.48 63.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.462 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.27 -25.05 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.528 1.058 . . . . 0.0 111.366 174.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.13 -48.48 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.673 -1.267 . . . . 0.0 110.467 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.64 -43.07 81.23 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -123.54 -31.89 3.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.595 1.158 . . . . 0.0 113.257 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.24 -20.21 69.05 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.047 -1.033 . . . . 0.0 113.245 172.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.68 45.27 19.3 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.704 2.002 . . . . 0.0 113.834 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -59.99 144.94 47.97 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.262 -0.899 . . . . 0.0 110.685 161.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -143.91 123.69 13.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.488 1.115 . . . . 0.0 111.837 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 p -164.17 169.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.372 2.269 . . . . 0.0 109.209 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.97 -162.51 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.15 1.38 . . . . 0.0 112.116 166.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.42 -7.4 0.88 Allowed Glycine 0 N--CA 1.47 0.959 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 -171.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 60.2 m -47.22 -65.89 0.49 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.469 1.634 . . . . 0.0 111.364 168.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.93 -35.58 78.68 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.97 -1.081 . . . . 0.0 113.098 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -50.67 -54.81 20.03 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.68 1.192 . . . . 0.0 110.05 170.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.2 tptt -64.22 -44.98 90.23 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.534 1.533 . . . . 0.0 113.225 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 8' ' ' LEU . 0.7 OUTLIER -55.54 -44.85 77.11 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.118 1.781 . . . . 0.0 111.784 172.448 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.66 -42.31 67.66 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.301 -1.5 . . . . 0.0 112.653 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.9 p -79.6 -27.26 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.889 -0.507 . . . . 0.0 111.991 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -68.47 -37.2 79.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.074 -1.016 . . . . 0.0 111.325 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -59.58 3.18 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.906 175.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.33 98.12 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.607 0.763 . . . . 0.0 111.754 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.53 -19.49 63.69 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.785 1.234 . . . . 0.0 113.088 -174.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -110.55 -33.5 6.57 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 159.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -53.46 -52.22 60.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.504 1.956 . . . . 0.0 112.461 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -84.78 -41.0 16.57 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.868 1.318 . . . . 0.0 113.365 -167.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -64.45 -52.28 58.85 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.144 -2.298 . . . . 0.0 114.306 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.83 -85.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.599 1.56 . . . . 0.0 114.121 -170.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 127.907 2.483 . . . . 0.0 112.025 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 tmm? . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 121.09 0.472 . . . . 0.0 112.041 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -70.37 152.32 44.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.788 1.235 . . . . 0.0 113.355 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -119.14 11.89 12.51 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.534 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.284 66.2 m 46.15 -89.29 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.831 2.452 . . . . 0.0 115.407 -177.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.23 93.47 3.08 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 122.111 2.232 . . . . 0.0 113.331 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.09 -32.23 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 126.447 1.899 . . . . 0.0 111.042 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.32 70.95 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.652 1.12 . . . . 0.0 115.265 -171.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -123.52 -68.11 0.89 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.171 1.486 . . . . 0.0 109.709 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.59 31.88 18.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.151 1.381 . . . . 0.0 114.357 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -56.79 164.39 1.54 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 126.152 1.781 . . . . 0.0 111.545 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -35.59 -43.95 0.29 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.78 -33.46 60.17 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.129 -1.607 . . . . 0.0 113.716 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.57 6.29 44.3 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.877 2.471 . . . . 0.0 113.119 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.06 -10.74 60.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.143 1.377 . . . . 0.0 113.881 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.5 pm0 -45.16 -27.15 0.57 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.9 tptp -51.66 -67.74 0.23 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.021 1.328 . . . . 0.0 113.428 164.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -67.05 -39.3 86.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.656 2.382 . . . . 0.0 109.592 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -51.65 -48.25 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 130.147 3.379 . . . . 0.0 111.671 168.102 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -75.83 -41.06 53.68 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.55 -174.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.4 HD21 ' HE2' ' A' ' 19' ' ' LYS . 79.1 m-20 -58.89 -37.58 76.91 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.741 1.617 . . . . 0.0 113.923 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 pt -79.27 -27.63 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.533 1.06 . . . . 0.0 112.976 171.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.55 -31.85 63.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.895 0.878 . . . . 0.0 112.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 N--CA 1.477 0.924 0 C-N-CA 124.64 1.176 . . . . 0.0 113.592 175.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.8 t80 . . . . . 0 N--CA 1.472 0.642 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.21 33.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.249 1.023 . . . . 0.0 112.345 172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.494 HG23 HG21 ' B' ' 32' ' ' ILE . 1.7 mp -64.6 -37.58 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.8 1.64 . . . . 0.0 112.547 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.73 -45.19 90.18 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.383 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.76 -44.16 93.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 116.939 -1.505 . . . . 0.0 111.306 170.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.9 -53.33 54.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.927 1.694 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -67.77 -37.14 81.7 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 119.471 1.032 . . . . 0.0 112.144 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -41.97 98.77 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 0.0 111.326 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -69.9 -53.85 16.1 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 127.227 2.211 . . . . 0.0 110.247 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -57.0 -41.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.453 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.11 -25.54 61.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 118.584 -1.246 . . . . 0.0 113.426 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -26.47 67.29 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.557 1.071 . . . . 0.0 112.004 171.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.56 -51.52 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.523 -1.361 . . . . 0.0 110.384 167.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.8 -43.98 91.4 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.804 1.241 . . . . 0.0 113.629 -168.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -123.95 -29.03 3.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.932 1.293 . . . . 0.0 113.129 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -18.24 72.81 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 113.199 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.293 67.4 p 52.51 42.51 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.893 2.077 . . . . 0.0 114.134 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -55.64 142.4 34.04 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.726 0.81 . . . . 0.0 110.975 165.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -152.86 121.29 6.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.426 1.491 . . . . 0.0 109.976 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.505 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -162.23 165.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.868 . . . . 0.0 109.194 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -76.7 60.81 1.74 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.092 2.557 . . . . 0.0 114.35 -168.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.7 -8.88 67.19 Favored Glycine 0 N--CA 1.468 0.775 0 C-N-CA 127.598 2.523 . . . . 0.0 115.123 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 m -60.55 -58.48 8.32 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.212 2.006 . . . . 0.0 110.643 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.505 ' H ' HG13 ' A' ' 49' ' ' VAL . 6.2 t -66.53 -34.75 78.62 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -54.99 -54.38 43.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.266 1.026 . . . . 0.0 110.61 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.5 tptt -60.04 -43.06 95.59 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 125.429 1.492 . . . . 0.0 112.008 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.84 -45.43 86.25 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.244 1.384 . . . . 0.0 112.08 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.77 -42.94 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.223 -1.548 . . . . 0.0 112.351 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -78.76 -27.73 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.244 0.617 . . . . 0.0 112.025 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 t -71.44 -36.51 71.29 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.985 -1.072 . . . . 0.0 112.125 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -50.94 -55.88 15.07 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.326 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -40.0 94.35 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.781 0.719 . . . . 0.0 111.807 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.79 -18.54 32.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -33.54 6.14 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 165.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.82 -50.69 61.79 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.107 1.321 . . . . 0.0 113.895 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -70.35 -33.58 71.62 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.014 1.325 . . . . 0.0 112.514 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.89 -60.69 1.49 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -97.85 -43.04 7.28 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -160.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.403 2.281 . . . . 0.0 112.176 -174.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt . . . . . 0 CA--C 1.537 0.458 0 CA-C-O 120.69 0.281 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 13.2 ttp180 -66.28 149.82 49.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.144 0.978 . . . . 0.0 112.476 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.0 14.19 10.65 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.5 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.281 70.7 m 48.02 -86.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.969 2.508 . . . . 0.0 116.1 -176.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.86 106.3 6.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.179 2.718 . . . . 0.0 113.721 168.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -80.12 -38.46 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 111.733 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.69 -3.3 26.1 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.053 1.311 . . . . 0.0 115.709 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -140.73 -53.13 0.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.024 1.412 . . . . 0.0 110.564 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.12 44.39 19.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.215 1.806 . . . . 0.0 114.808 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -96.62 102.44 14.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -160.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.322 4.2 t 52.88 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.095 2.958 . . . . 0.0 115.605 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.53 -23.7 63.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.714 1.206 . . . . 0.0 112.519 166.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.46 4.99 31.21 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.466 1.507 . . . . 0.0 112.384 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -68.95 -10.72 58.79 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.37 -27.93 0.77 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -173.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.5 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.7 tptp -53.04 -66.03 0.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.201 1.4 . . . . 0.0 113.048 166.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.523 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.14 -38.2 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.493 2.317 . . . . 0.0 109.519 -173.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -52.13 -48.38 64.89 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 129.707 3.203 . . . . 0.0 111.571 167.506 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -72.88 -44.91 60.74 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.99 -34.08 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.598 1.959 . . . . 0.0 114.981 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -82.27 -28.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 119.088 0.858 . . . . 0.0 112.563 171.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -75.05 -31.1 61.2 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 pt -77.24 -177.41 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 0.0 113.405 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -61.28 -31.93 71.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -144.24 146.35 32.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.925 1.29 . . . . 0.0 112.1 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.27 141.33 58.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.08 0.952 . . . . 0.0 111.854 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -136.66 -29.68 0.93 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -161.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.89 37.01 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.502 1.501 . . . . 0.0 114.03 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.494 HG21 HG23 ' A' ' 32' ' ' ILE . 22.6 mm -71.47 -28.64 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.4 -47.41 75.94 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.8 -55.84 29.96 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 110.959 170.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 -51.85 26.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.535 1.134 . . . . 0.0 112.361 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.3 t -70.79 -39.9 72.86 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 121.509 -0.745 . . . . 0.0 111.954 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -59.17 -41.69 89.04 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.045 0.926 . . . . 0.0 110.679 174.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.59 -52.96 15.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.918 2.087 . . . . 0.0 110.692 -173.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.65 -42.72 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 121.613 -0.679 . . . . 0.0 111.161 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.13 -26.24 61.15 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 119.355 -0.938 . . . . 0.0 113.45 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.67 -24.46 63.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.571 1.078 . . . . 0.0 111.167 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.35 -46.35 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.915 -1.116 . . . . 0.0 110.358 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -64.45 -52.13 59.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -118.47 -30.31 5.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 112.746 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.37 -15.95 70.86 Favored Glycine 0 CA--C 1.54 1.656 0 O-C-N 121.229 -0.92 . . . . 0.0 114.015 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.3 p 53.02 41.38 32.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.176 2.19 . . . . 0.0 115.363 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.93 145.53 35.38 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.597 -0.689 . . . . 0.0 110.584 160.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -144.68 126.68 15.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.278 1.031 . . . . 0.0 111.774 -176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -163.27 169.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 127.189 2.195 . . . . 0.0 109.278 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -60.64 -171.03 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.935 1.694 . . . . 0.0 112.239 165.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.89 -7.41 0.3 Allowed Glycine 0 N--CA 1.474 1.176 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -46.4 -67.41 0.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.526 1.663 . . . . 0.0 111.219 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -65.31 -41.58 93.89 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.182 0.901 . . . . 0.0 112.257 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -46.82 -53.2 12.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.211 1.004 . . . . 0.0 110.764 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.498 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.1 tptt -61.9 -41.67 98.18 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 125.079 1.352 . . . . 0.0 112.499 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.441 ' O ' HD23 ' B' ' 60' ' ' LEU . 13.1 mptt -60.71 -46.87 88.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.868 1.667 . . . . 0.0 112.095 172.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.28 -37.15 77.71 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 119.432 -2.042 . . . . 0.0 111.915 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.9 p -81.17 -28.36 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.521 0.728 . . . . 0.0 112.454 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.14 -32.24 66.71 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.331 -1.481 . . . . 0.0 112.269 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.441 HD23 ' O ' ' B' ' 56' ' ' LYS . 2.1 mm? -49.15 -56.09 10.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.495 175.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.53 83.4 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.225 174.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.86 -24.69 16.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 119.032 -0.509 . . . . 0.0 112.106 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -46.64 4.73 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 170.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.09 -47.62 83.81 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -74.57 -32.67 62.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.795 1.238 . . . . 0.0 112.421 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.51 -61.65 1.37 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.33 -45.15 15.3 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -168.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 31.8 m120 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.971 1.708 . . . . 0.0 113.198 -173.194 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.542 0.669 0 N-CA-C 111.627 0.232 . . . . 0.0 111.627 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 18.9 ttp180 -128.19 151.76 48.86 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.288 1.835 . . . . 0.0 111.14 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.3 mmt -122.26 11.55 10.11 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.542 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.27 66.5 m 45.98 -92.34 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.293 2.237 . . . . 0.0 115.516 -177.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.31 91.94 3.35 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 121.18 1.809 . . . . 0.0 110.817 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.79 -32.69 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.507 1.123 . . . . 0.0 111.158 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 4.44 57.23 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.003 1.287 . . . . 0.0 114.765 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -57.43 0.78 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.759 1.28 . . . . 0.0 110.168 162.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 49.08 36.63 9.09 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.08 1.752 . . . . 0.0 113.471 -178.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.29 170.82 2.12 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 126.265 1.826 . . . . 0.0 111.998 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -39.03 -42.72 0.92 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -76.53 -35.01 58.53 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.295 -1.503 . . . . 0.0 113.467 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -86.66 8.09 23.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.304 2.241 . . . . 0.0 113.717 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.41 -9.63 58.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.467 -1.395 . . . . 0.0 113.901 -172.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.82 -32.57 0.63 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.743 1.617 . . . . 0.0 114.051 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.9 tptp -49.99 -67.44 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.046 1.738 . . . . 0.0 113.006 166.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.13 -36.23 74.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.321 2.249 . . . . 0.0 109.763 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -54.06 -51.28 64.6 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.821 1.248 . . . . 0.0 108.446 167.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 22' ' ' LEU . 1.9 tm? -68.74 -44.59 73.46 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -166.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -58.75 -24.34 61.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 128.351 2.661 . . . . 0.0 116.32 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.0 pt -92.77 -27.03 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.713 1.597 . . . . 0.0 113.419 167.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -72.98 -31.04 64.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.012 1.325 . . . . 0.0 112.696 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 125.068 1.347 . . . . 0.0 113.623 176.225 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.0 t80 . . . . . 0 CA--C 1.552 1.054 0 CA-C-O 118.389 -0.815 . . . . 0.0 112.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.55 -43.13 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.539 3.136 . . . . 0.0 116.961 -153.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' A' ' 64' ' ' PHE . 10.5 mm -78.98 -29.55 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 125.048 1.339 . . . . 0.0 114.315 -166.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.6 -36.99 77.35 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.125 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.65 -47.32 84.22 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.356 171.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.13 -55.47 10.22 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.827 1.194 . . . . 0.0 112.46 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -66.75 -37.49 84.75 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 119.338 0.972 . . . . 0.0 111.958 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -42.62 96.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 122.027 0.918 . . . . 0.0 111.254 174.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -70.45 -54.21 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 127.012 2.125 . . . . 0.0 110.561 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.16 -42.25 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.877 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -72.21 -28.34 63.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.353 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -67.8 -23.37 65.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.216 0.916 . . . . 0.0 111.445 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.44 -46.74 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 172.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.46 -46.76 81.73 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.916 1.287 . . . . 0.0 113.533 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -125.76 -28.66 3.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.797 1.239 . . . . 0.0 113.488 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.57 74.28 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 113.426 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.05 44.52 22.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.589 1.956 . . . . 0.0 113.899 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.0 143.38 43.42 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.266 -0.896 . . . . 0.0 110.424 161.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -145.84 124.77 12.73 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.339 1.056 . . . . 0.0 111.597 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 p -164.56 171.29 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.438 2.295 . . . . 0.0 108.943 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -60.35 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.607 1.563 . . . . 0.0 111.987 164.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.83 -6.31 0.21 Allowed Glycine 0 N--CA 1.473 1.144 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -47.64 -65.59 0.54 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.027 1.914 . . . . 0.0 111.623 169.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -66.22 -36.27 82.6 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.833 -1.167 . . . . 0.0 113.071 -174.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -52.57 -56.18 17.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.737 1.215 . . . . 0.0 110.314 170.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.8 tptt -62.14 -43.6 98.47 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 117.194 -1.384 . . . . 0.0 112.725 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' O ' HG22 ' A' ' 59' ' ' THR . 1.3 mptm? -51.69 -55.58 18.72 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.701 1.591 . . . . 0.0 111.427 170.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pp -80.42 -21.69 41.95 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.83 -1.794 . . . . 0.0 114.734 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.4 p -83.91 -25.84 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.779 -0.576 . . . . 0.0 111.817 170.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.5 t -70.01 -34.2 73.0 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.718 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.81 -57.2 4.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -38.07 76.51 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 119.176 -0.44 . . . . 0.0 112.019 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.6 -23.71 18.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.528 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -117.46 -25.76 6.88 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 165.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CG ' HD11 ' A' ' 32' ' ' ILE . 52.6 t80 -66.33 -48.14 71.24 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 121.679 2.036 . . . . 0.0 113.137 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -72.06 -35.05 69.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.152 1.381 . . . . 0.0 112.219 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.69 -63.07 1.24 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -102.96 -42.9 5.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -158.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.276 1.431 . . . . 0.0 113.255 -169.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.472 0.657 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 2.0 ttp180 -68.3 150.15 48.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.524 1.13 . . . . 0.0 112.921 -168.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.4 mmt -121.71 16.6 11.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.271 92.0 p 42.74 -92.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.348 2.659 . . . . 0.0 115.298 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -132.7 95.12 3.53 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 121.065 1.757 . . . . 0.0 110.735 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -77.18 -30.92 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.473 1.509 . . . . 0.0 111.493 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.96 54.86 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.89 1.71 . . . . 0.0 114.944 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 -62.21 1.04 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.187 1.494 . . . . 0.0 108.956 166.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 35.47 25.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.012 1.725 . . . . 0.0 113.812 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -57.14 162.98 2.31 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.793 1.637 . . . . 0.0 111.791 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -34.96 -43.18 0.18 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.39 -30.1 60.02 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.325 -1.484 . . . . 0.0 113.682 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.55 5.93 49.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.582 2.753 . . . . 0.0 113.098 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.53 -10.62 60.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.958 1.303 . . . . 0.0 114.332 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.729 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.3 pm0 -42.88 -27.99 0.22 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 114.138 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.442 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 3.3 tptp -52.07 -68.29 0.18 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.628 1.571 . . . . 0.0 112.797 165.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.524 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.41 -38.03 80.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.695 2.398 . . . . 0.0 109.391 -173.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.729 HD23 ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -55.57 -49.82 71.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.477 1.911 . . . . 0.0 109.478 167.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.21 -41.78 73.2 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -167.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -59.19 -35.78 74.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.261 2.624 . . . . 0.0 115.126 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.9 pt -80.02 -26.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.253 1.388 . . . . 0.0 112.782 170.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -76.9 -31.71 56.91 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.276 1.03 . . . . 0.0 112.478 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -78.46 -169.31 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 125.327 1.451 . . . . 0.0 113.051 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -48.84 -45.07 40.14 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.214 2.206 . . . . 0.0 114.798 -172.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -158.32 160.39 36.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.012 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.56 144.95 19.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.202 1.001 . . . . 0.0 111.651 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . 0.505 ' CE2' HD21 ' B' ' 34' ' ' LEU . 42.1 t80 -143.21 -33.82 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.877 1.271 . . . . 0.0 113.875 -166.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 -46.4 9.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.269 1.828 . . . . 0.0 112.871 168.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.457 HG21 ' CG2' ' A' ' 32' ' ' ILE . 25.2 mm -78.34 -25.55 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 121.106 -0.996 . . . . 0.0 113.214 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.1 -41.42 88.05 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.73 -1.231 . . . . 0.0 110.065 166.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' B' ' 30' ' ' TYR . 6.5 mt -55.52 -53.66 53.57 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.976 169.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.494 HD23 ' HG ' ' B' ' 60' ' ' LEU . 2.7 tm? -46.68 -53.91 10.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.377 1.071 . . . . 0.0 112.085 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -64.64 -43.58 93.21 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 119.216 0.917 . . . . 0.0 111.89 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -41.1 85.06 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 122.826 1.298 . . . . 0.0 111.074 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -77.14 -50.36 13.18 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.732 2.013 . . . . 0.0 111.439 -171.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.73 -41.72 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.316 -0.865 . . . . 0.0 111.011 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.7 -26.83 62.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.839 -1.144 . . . . 0.0 113.408 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -64.28 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.526 1.057 . . . . 0.0 110.666 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.44 -46.2 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 120.569 -1.332 . . . . 0.0 110.647 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.8 -44.89 80.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.719 1.208 . . . . 0.0 113.625 -172.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -124.02 -31.38 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.457 1.103 . . . . 0.0 113.378 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.58 -17.76 67.16 Favored Glycine 0 CA--C 1.54 1.623 0 O-C-N 121.015 -1.053 . . . . 0.0 113.304 172.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m 57.13 46.98 18.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.034 2.134 . . . . 0.0 113.696 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -62.25 148.05 46.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.999 0.92 . . . . 0.0 110.672 163.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.66 125.89 20.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.834 1.253 . . . . 0.0 111.077 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -164.11 168.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.159 2.184 . . . . 0.0 109.518 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -61.61 -169.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.108 1.763 . . . . 0.0 112.284 165.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.36 0.24 Allowed Glycine 0 N--CA 1.473 1.133 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -47.7 -63.35 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.854 1.827 . . . . 0.0 111.009 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -66.2 -40.9 90.72 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.888 1.222 . . . . 0.0 112.539 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -47.86 -54.39 12.69 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.064 0.946 . . . . 0.0 110.625 171.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.479 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.7 tptt -61.5 -45.3 94.8 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 116.694 -1.622 . . . . 0.0 112.85 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.508 ' O ' HG22 ' B' ' 59' ' ' THR . 1.6 mptm? -50.74 -57.12 9.11 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 121.099 1.772 . . . . 0.0 111.268 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.52 -30.11 65.55 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.81 -1.806 . . . . 0.0 112.674 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.7 p -83.42 -27.33 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.705 -0.622 . . . . 0.0 112.548 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.508 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.0 t -71.55 -32.1 67.74 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.439 -1.413 . . . . 0.0 112.183 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.494 ' HG ' HD23 ' B' ' 35' ' ' LEU . 2.1 mm? -45.66 -59.19 2.9 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.92 0.888 . . . . 0.0 110.159 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -35.87 73.04 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 119.447 -0.311 . . . . 0.0 111.602 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.72 -19.62 28.66 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.761 -0.637 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -32.9 5.6 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 164.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -65.54 -52.77 50.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 113.632 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -69.14 -33.38 73.35 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.066 -1.021 . . . . 0.0 112.405 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -91.09 -59.88 2.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.514 1.926 . . . . 0.0 115.759 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -102.35 -45.65 5.03 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -160.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.927 2.091 . . . . 0.0 112.482 -175.17 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 tpp . . . . . 0 N--CA 1.472 0.647 0 N-CA-C 110.078 -0.342 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 6.1 ttp180 -96.79 146.2 25.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -168.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -127.14 63.83 1.32 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.209 1.003 . . . . 0.0 109.069 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 41.0 m -47.54 115.82 1.25 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.042 0.937 . . . . 0.0 113.469 -170.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.492 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.275 3.8 mt 51.7 70.21 0.57 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.259 3.024 . . . . 0.0 114.169 175.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -66.29 -30.54 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.818 1.247 . . . . 0.0 111.171 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.49 2.29 57.67 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 125.959 1.742 . . . . 0.0 115.145 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -134.53 -56.17 0.84 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.984 1.392 . . . . 0.0 110.206 164.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.92 44.15 23.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 113.718 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 97.33 9.17 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 113.531 -163.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.304 4.5 t 52.15 -68.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.821 2.849 . . . . 0.0 115.811 171.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -65.93 -26.57 67.66 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 120.506 -1.372 . . . . 0.0 112.391 164.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -99.98 5.97 45.15 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.703 1.601 . . . . 0.0 111.952 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.94 -8.98 53.31 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.51 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.5 pm0 -43.48 -28.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -175.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -55.34 -64.29 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.284 1.434 . . . . 0.0 112.258 168.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -70.09 -36.77 75.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 127.708 2.403 . . . . 0.0 109.763 -174.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -58.01 -52.38 65.74 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 125.158 1.383 . . . . 0.0 109.032 168.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.2 tp -69.26 -42.34 75.7 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -163.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -52.21 -44.85 64.97 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.384 2.274 . . . . 0.0 115.351 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.59 -25.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 121.076 1.762 . . . . 0.0 112.435 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -77.79 -30.77 51.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.391 1.077 . . . . 0.0 112.82 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.7 pt . . . . . 0 CA--C 1.548 0.901 0 C-N-CA 125.121 1.368 . . . . 0.0 113.203 175.04 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.7 t80 . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.17 57.31 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.8 1.182 . . . . 0.0 112.505 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 32' ' ' ILE . 1.5 mm -66.96 -33.53 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -58.89 -40.88 85.76 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.4 -41.05 96.86 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 115.969 -1.967 . . . . 0.0 110.549 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.5 tp -53.43 -56.04 20.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.938 2.154 . . . . 0.0 111.844 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.2 t -66.26 -38.17 87.2 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 119.148 0.885 . . . . 0.0 111.74 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -61.69 -43.46 98.81 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.927 0.87 . . . . 0.0 111.046 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.19 -55.07 13.62 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.135 2.174 . . . . 0.0 110.518 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.69 -41.47 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.342 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -70.88 -26.97 63.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 118.423 -1.311 . . . . 0.0 113.348 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.56 -26.22 67.02 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.402 1.001 . . . . 0.0 112.053 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 42' ' ' ILE . 3.1 mp -80.97 -51.65 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.395 -1.441 . . . . 0.0 110.533 167.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.242 1.017 . . . . 0.0 113.637 -167.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 t -123.19 -29.25 3.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.525 1.13 . . . . 0.0 113.46 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 -17.56 75.73 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 119.65 1.114 . . . . 0.0 113.427 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.3 81.6 p 53.12 41.01 32.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.023 2.129 . . . . 0.0 114.642 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.54 142.15 45.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.885 0.874 . . . . 0.0 110.915 165.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -152.58 128.98 10.61 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 110.582 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.508 HG13 ' H ' ' A' ' 53' ' ' THR . 2.1 p -161.84 166.29 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.497 1.919 . . . . 0.0 109.156 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -64.01 59.93 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 131.007 3.723 . . . . 0.0 116.211 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.3 -6.42 15.49 Favored Glycine 0 N--CA 1.469 0.894 0 C-N-CA 126.717 2.104 . . . . 0.0 115.359 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.0 m -61.12 -58.34 8.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.576 2.188 . . . . 0.0 110.582 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.508 ' H ' HG13 ' A' ' 49' ' ' VAL . 7.1 t -61.5 -37.53 84.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.821 0.848 . . . . 0.0 113.227 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -56.28 -57.1 13.7 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.713 1.205 . . . . 0.0 110.796 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 58' ' ' VAL . 24.2 tptt -59.99 -44.56 94.43 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.285 1.434 . . . . 0.0 112.113 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER -50.27 -52.83 33.0 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.215 1.37 . . . . 0.0 111.635 169.615 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.61 -25.11 41.54 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.953 -1.717 . . . . 0.0 114.81 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.3 p -81.21 -26.49 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.635 -0.665 . . . . 0.0 111.722 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.8 t -71.86 -30.98 66.0 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.461 -1.399 . . . . 0.0 112.381 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.41 -56.84 7.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.916 172.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -37.68 84.77 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.92 0.327 . . . . 0.0 111.615 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.82 -24.7 24.13 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.747 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 -39.95 5.45 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 171.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 32' ' ' ILE . 73.5 t80 -65.33 -51.29 61.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.969 0.908 . . . . 0.0 113.082 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -70.34 -36.48 74.24 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 112.319 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -90.22 -61.67 1.63 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -100.73 -35.83 9.32 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -159.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.425 1.89 . . . . 0.0 112.756 -179.255 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.2 tpp . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 110.51 -0.182 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.594 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 46.9 ttp180 -137.92 143.73 40.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.768 1.627 . . . . 0.0 110.281 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 79.5 mmm -124.3 70.43 1.1 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.777 0.799 . . . . 0.0 110.606 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 67.7 m -76.93 102.85 6.56 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.649 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -133.99 142.75 47.78 Favored 'General case' 0 CA--C 1.535 0.397 1 C-N-CA 136.667 5.987 . . . . 0.0 107.119 -1.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -92.41 -43.05 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.39 1.28 27.92 Favored Glycine 0 CA--C 1.546 2.028 0 C-N-CA 125.138 1.351 . . . . 0.0 115.267 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -139.74 -60.75 0.54 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.85 1.325 . . . . 0.0 110.668 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.45 36.17 22.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.092 1.357 . . . . 0.0 113.715 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . 0.415 ' HA ' ' HE ' ' B' ' 63' ' ' ARG . 19.6 m-30 -55.66 162.82 1.54 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.701 1.6 . . . . 0.0 111.667 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -35.23 -42.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.82 -29.09 50.45 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.121 -1.612 . . . . 0.0 114.038 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 7.51 45.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.009 2.923 . . . . 0.0 112.869 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.31 -8.92 56.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.566 1.147 . . . . 0.0 113.9 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.465 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -45.56 -27.75 0.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.748 1.219 . . . . 0.0 113.998 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.2 tptt -47.53 -73.28 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.718 2.007 . . . . 0.0 113.365 162.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.528 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -67.45 -35.21 78.76 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.901 2.48 . . . . 0.0 109.987 -173.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -52.78 -50.62 63.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.368 3.067 . . . . 0.0 111.537 167.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -72.61 -39.66 67.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 116.453 -2.099 . . . . 0.0 107.726 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' B' ' 19' ' ' LYS . 90.5 m-20 -64.14 -26.03 68.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.136 1.774 . . . . 0.0 115.287 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -86.24 -29.89 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.825 1.193 . . . . 0.0 112.314 166.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.49 -27.68 63.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.923 0.889 . . . . 0.0 113.044 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.41 -141.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.897 1.679 . . . . 0.0 112.121 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -62.69 11.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 128.345 2.658 . . . . 0.0 115.481 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 68.07 149.43 0.06 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.479 3.112 . . . . 0.0 116.455 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 56.48 20.95 5.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.176 2.19 . . . . 0.0 116.77 168.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -57.98 -31.7 67.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -169.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.8 -36.95 7.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.79 0.836 . . . . 0.0 113.08 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.65 -29.35 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.58 -44.22 93.39 Favored 'General case' 0 C--O 1.242 0.708 0 O-C-N 121.383 -0.823 . . . . 0.0 110.202 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -49.1 78.66 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.211 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.8 tp -48.44 -55.11 11.77 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.73 1.604 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.8 t -68.19 -41.95 80.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.456 0.571 . . . . 0.0 111.61 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -62.64 -38.93 92.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.03 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.77 -54.79 9.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.304 2.242 . . . . 0.0 110.966 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.91 -43.4 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.019 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.6 -28.7 62.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 118.615 -1.234 . . . . 0.0 113.498 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.97 -23.02 64.07 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.587 1.085 . . . . 0.0 111.606 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.22 -46.97 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.693 -1.254 . . . . 0.0 110.199 173.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.26 -48.58 72.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.479 1.112 . . . . 0.0 113.494 -173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -119.39 -31.26 4.68 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.505 1.122 . . . . 0.0 113.096 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.22 -15.28 72.21 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 121.237 -0.914 . . . . 0.0 114.225 171.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.316 82.1 p 54.5 37.65 28.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.218 2.207 . . . . 0.0 115.826 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.28 149.39 38.06 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.253 -0.904 . . . . 0.0 110.998 160.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -153.1 138.52 17.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.259 1.023 . . . . 0.0 112.074 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.556 HG13 ' H ' ' B' ' 53' ' ' THR . 2.6 p -161.26 160.96 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.759 2.023 . . . . 0.0 109.636 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.46 70.17 2.3 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.536 2.335 . . . . 0.0 114.455 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.38 -10.94 19.69 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 127.962 2.696 . . . . 0.0 115.55 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -58.6 -60.43 3.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.667 1.734 . . . . 0.0 109.52 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.556 ' H ' HG13 ' B' ' 49' ' ' VAL . 12.2 t -60.99 -44.58 97.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.584 -0.697 . . . . 0.0 112.578 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -47.17 -54.01 11.69 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.328 1.051 . . . . 0.0 111.198 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.8 tptt -60.78 -40.56 93.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 125.494 1.518 . . . . 0.0 112.671 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.462 ' O ' HD23 ' B' ' 60' ' ' LEU . 1.1 mptm? -55.73 -51.07 68.62 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.857 1.662 . . . . 0.0 111.965 167.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -66.58 -34.69 78.45 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.26 -2.15 . . . . 0.0 112.208 -175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' B' ' 55' ' ' LYS . 8.3 p -86.39 -26.53 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -71.18 -30.73 66.78 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 120.315 -1.491 . . . . 0.0 112.361 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.462 HD23 ' O ' ' B' ' 56' ' ' LYS . 2.9 mm? -45.88 -57.27 4.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 0.0 110.55 170.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -36.27 77.77 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 117.945 0.339 . . . . 0.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.63 -19.55 16.78 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.877 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.415 ' HE ' ' HA ' ' B' ' 13' ' ' PHE . 62.9 mtt-85 -116.82 -29.9 5.91 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 163.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.74 -46.74 74.46 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.548 1.522 . . . . 0.0 113.657 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -74.52 -35.71 63.16 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.695 1.198 . . . . 0.0 112.598 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -92.52 -58.7 2.28 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -103.76 -35.78 8.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -158.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.587 1.955 . . . . 0.0 112.282 -176.328 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 13.2 ttp180 -125.07 151.35 45.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.669 1.988 . . . . 0.0 111.157 176.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.0 11.52 10.29 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.571 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.253 68.5 m 47.79 -88.5 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.204 2.602 . . . . 0.0 116.109 -178.009 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.33 92.12 3.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.878 1.672 . . . . 0.0 110.279 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.402 HD11 HE22 ' A' ' 18' ' ' GLN . 4.8 mt -76.62 -39.23 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.451 0.7 . . . . 0.0 111.255 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.73 1.54 49.5 Favored Glycine 0 CA--C 1.546 1.995 0 C-N-CA 124.921 1.248 . . . . 0.0 114.797 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -138.06 -51.51 0.6 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.147 1.474 . . . . 0.0 112.061 168.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.68 37.16 12.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.731 2.013 . . . . 0.0 115.572 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.43 105.41 17.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.577 0.751 . . . . 0.0 112.531 -160.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 4.6 t 51.66 -71.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.717 2.807 . . . . 0.0 115.148 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.37 -31.57 72.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.568 1.147 . . . . 0.0 112.561 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -100.31 6.72 44.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.161 0.984 . . . . 0.0 112.019 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -69.8 -8.5 48.76 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.402 HE22 HD11 ' A' ' 9' ' ' ILE . 2.6 pm0 -42.87 -30.99 0.44 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.775 1.625 . . . . 0.0 115.204 -176.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.3 tptp -53.56 -64.07 0.94 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.673 1.589 . . . . 0.0 112.535 168.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.3 mm? -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 127.857 2.463 . . . . 0.0 109.629 -173.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -53.53 55.82 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 108.298 167.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.22 -45.8 72.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -162.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -52.28 -42.05 63.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.798 2.439 . . . . 0.0 114.839 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 pt -79.59 -26.32 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.782 1.174 . . . . 0.0 112.864 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.1 -30.22 55.25 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.409 1.084 . . . . 0.0 112.727 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 CA--C 1.549 0.909 0 C-N-CA 124.892 1.277 . . . . 0.0 113.051 173.943 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 8.2 t80 . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -35.62 -43.14 0.26 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.607 2.363 . . . . 0.0 116.73 -171.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' B' ' 32' ' ' ILE . 1.8 mp -69.8 -34.37 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.95 -43.31 86.31 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.875 -1.141 . . . . 0.0 110.188 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 34' ' ' LEU . 4.1 mp -60.96 -45.57 94.19 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.035 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.86 -55.47 14.16 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.327 1.421 . . . . 0.0 111.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -66.17 -38.2 87.48 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 119.805 1.184 . . . . 0.0 112.358 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.81 92.15 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.717 1.246 . . . . 0.0 111.422 174.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -74.02 -52.25 13.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.928 2.091 . . . . 0.0 110.811 -172.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 pp -56.74 -41.95 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.025 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.39 -27.27 62.26 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.517 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -66.37 -25.13 66.65 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.52 1.055 . . . . 0.0 111.121 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.04 -47.44 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 120.977 -1.077 . . . . 0.0 110.948 171.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.16 -43.93 93.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.567 1.147 . . . . 0.0 113.565 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 -31.74 2.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.68 1.192 . . . . 0.0 113.489 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -18.47 65.88 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 120.885 -1.135 . . . . 0.0 113.516 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.53 43.32 22.91 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.749 2.019 . . . . 0.0 113.886 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.59 140.91 55.95 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.29 -0.881 . . . . 0.0 109.87 158.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -145.43 125.07 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.089 0.955 . . . . 0.0 112.046 -173.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -165.26 171.51 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.452 2.301 . . . . 0.0 109.141 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -60.22 -170.03 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.055 1.742 . . . . 0.0 112.107 164.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -6.84 0.37 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 117.902 1.921 . . . . 0.0 117.902 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.2 m -46.89 -65.57 0.54 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 119.623 1.712 . . . . 0.0 111.264 169.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -66.88 -38.94 87.25 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -49.54 -53.54 22.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.211 1.004 . . . . 0.0 110.713 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.3 tptt -61.76 -41.22 97.41 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.017 1.327 . . . . 0.0 112.429 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 59' ' ' THR . 12.9 mptt -57.25 -47.8 80.46 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.479 1.49 . . . . 0.0 112.589 171.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.27 -35.63 66.21 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 119.805 -1.81 . . . . 0.0 112.758 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.0 p -80.48 -27.02 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.794 -0.566 . . . . 0.0 111.922 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 56' ' ' LYS . 6.6 t -70.54 -35.0 72.88 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.659 -1.275 . . . . 0.0 112.057 171.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.87 -54.8 7.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.423 173.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.62 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 175.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -57.73 -19.13 25.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.985 0.914 . . . . 0.0 113.096 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -111.96 -34.05 6.1 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 157.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -49.33 67.96 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.6 2.0 . . . . 0.0 113.559 -173.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -71.75 -29.87 64.97 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.623 1.169 . . . . 0.0 112.514 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -101.53 -58.31 1.91 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.468 2.307 . . . . 0.0 116.585 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -104.78 -43.31 5.14 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -157.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 113.262 -174.879 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ttt . . . . . 0 CA--C 1.541 0.628 0 CA-C-O 120.469 0.176 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 15.0 ttp180 -129.68 153.36 48.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.327 1.451 . . . . 0.0 111.269 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mmt -120.3 11.41 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.496 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.253 69.9 m 46.16 -93.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.347 2.259 . . . . 0.0 115.227 -176.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.67 95.45 4.35 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.497 1.953 . . . . 0.0 109.89 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -77.54 -41.16 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.0 110.745 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.53 -0.73 39.76 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 125.704 1.621 . . . . 0.0 114.077 -170.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -132.22 -67.93 0.64 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.158 1.383 . . . . 0.0 109.249 170.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 34.09 22.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.319 1.448 . . . . 0.0 114.329 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.98 164.36 1.23 Allowed 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.76 1.624 . . . . 0.0 111.83 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -36.5 -42.67 0.36 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.23 -32.57 58.98 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.179 -1.575 . . . . 0.0 113.733 175.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -92.47 8.39 38.93 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.223 2.609 . . . . 0.0 112.974 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.79 -8.87 57.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.295 1.438 . . . . 0.0 114.1 -173.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -44.97 -28.14 0.63 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.819 1.247 . . . . 0.0 114.258 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.7 tptp -49.95 -69.71 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.125 1.77 . . . . 0.0 113.766 163.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.481 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.34 -36.93 79.98 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 127.557 2.343 . . . . 0.0 109.783 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.418 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -48.74 -50.05 35.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 129.316 3.046 . . . . 0.0 111.148 165.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.32 -41.86 60.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 117.619 -1.632 . . . . 0.0 108.817 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.0 -25.97 68.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 126.303 1.841 . . . . 0.0 114.867 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -88.75 -27.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.838 0.745 . . . . 0.0 112.925 168.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.59 -30.77 67.54 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.054 0.942 . . . . 0.0 112.732 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.2 pt -82.02 -175.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.076 1.35 . . . . 0.0 113.625 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -63.39 -32.03 73.36 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -142.84 149.49 38.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.726 1.21 . . . . 0.0 112.64 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.73 78.69 1.11 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.56 1.944 . . . . 0.0 112.539 -172.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . 0.426 ' CE2' HD21 ' B' ' 34' ' ' LEU . 24.1 t80 -66.63 -43.67 84.04 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 -158.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -32.2 -47.44 0.15 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.451 2.301 . . . . 0.0 115.731 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.475 HG21 ' CG2' ' A' ' 32' ' ' ILE . 32.4 mm -74.97 -27.67 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 120.296 1.407 . . . . 0.0 113.945 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.67 -38.9 79.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.813 -1.179 . . . . 0.0 110.307 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.426 HD21 ' CE2' ' B' ' 30' ' ' TYR . 12.3 mt -58.92 -57.88 11.11 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.581 168.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.34 -52.36 9.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.499 1.52 . . . . 0.0 112.109 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -47.96 66.81 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 119.409 1.004 . . . . 0.0 111.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.58 67.93 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 122.55 1.167 . . . . 0.0 110.399 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -76.04 -51.09 13.04 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 127.658 2.383 . . . . 0.0 112.377 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 pp -56.71 -38.91 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.926 0.785 . . . . 0.0 110.715 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.0 -30.41 63.76 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.71 -27.47 69.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.408 1.458 . . . . 0.0 111.203 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.84 -48.07 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.946 -1.096 . . . . 0.0 110.852 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.13 -45.57 69.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.398 1.079 . . . . 0.0 113.795 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -119.07 -32.06 4.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.96 1.304 . . . . 0.0 112.766 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.6 -13.57 74.63 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.083 -1.01 . . . . 0.0 114.058 171.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.314 81.7 p 54.94 37.37 28.67 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.138 2.175 . . . . 0.0 115.293 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.29 142.14 58.36 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.602 -0.686 . . . . 0.0 110.274 159.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -160.99 137.55 8.58 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.496 1.118 . . . . 0.0 111.771 172.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.34 -158.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 126.66 1.984 . . . . 0.0 109.329 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -55.97 -174.88 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.71 1.604 . . . . 0.0 113.635 160.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.26 -7.67 2.05 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 119.948 -1.72 . . . . 0.0 116.391 175.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -49.2 -58.28 5.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.174 1.987 . . . . 0.0 110.985 171.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -66.66 -42.46 86.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.95 1.25 . . . . 0.0 112.532 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -48.25 -53.43 17.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.387 1.075 . . . . 0.0 111.238 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.472 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.9 tptt -59.7 -42.68 93.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.784 1.634 . . . . 0.0 112.932 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.411 ' O ' HD23 ' B' ' 60' ' ' LEU . 1.5 mptm? -52.66 -52.97 53.4 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 121.066 1.757 . . . . 0.0 111.503 169.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.74 -36.08 77.94 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.184 -1.573 . . . . 0.0 112.635 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.3 p -84.85 -27.45 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 112.445 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 t -70.06 -34.09 72.76 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 120.737 -1.227 . . . . 0.0 111.76 174.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.411 HD23 ' O ' ' B' ' 56' ' ' LYS . 1.6 mm? -45.77 -59.13 2.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.465 0.706 . . . . 0.0 111.022 175.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -36.46 74.07 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.338 -0.363 . . . . 0.0 111.723 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.98 -19.37 17.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.205 0.602 . . . . 0.0 112.508 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -34.44 5.62 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 164.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.12 -49.75 70.98 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.072 1.305 . . . . 0.0 113.703 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -72.78 -35.29 67.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.592 1.157 . . . . 0.0 112.596 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.51 -58.26 2.59 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -102.25 -44.48 5.4 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -161.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.087 2.155 . . . . 0.0 112.428 -175.751 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 111.635 0.235 . . . . 0.0 111.635 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.3 ttp180 -128.82 155.21 45.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.245 1.818 . . . . 0.0 111.498 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.2 mmm -120.77 7.01 10.44 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.549 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.264 74.8 m 48.14 -86.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.54 2.336 . . . . 0.0 115.172 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.56 97.87 4.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 121.363 1.892 . . . . 0.0 110.471 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.49 -38.03 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.828 0.851 . . . . 0.0 110.776 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 7.51 54.37 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.596 1.093 . . . . 0.0 114.013 -170.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.7 -64.26 0.46 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.356 1.462 . . . . 0.0 110.906 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.7 33.47 13.98 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.501 1.52 . . . . 0.0 114.385 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -63.19 167.83 4.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 125.479 1.512 . . . . 0.0 111.305 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -33.52 -45.36 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -77.14 -30.41 55.09 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.144 -1.597 . . . . 0.0 113.88 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.72 7.2 46.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.183 2.593 . . . . 0.0 113.154 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.69 -12.59 61.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.881 1.672 . . . . 0.0 113.95 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -44.44 -28.89 0.61 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.8 tptp -49.48 -70.16 0.1 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.835 1.654 . . . . 0.0 113.607 164.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.584 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -67.92 -36.57 80.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.321 2.248 . . . . 0.0 109.794 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -50.87 -47.98 60.36 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.974 2.91 . . . . 0.0 111.243 166.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -73.84 -42.0 61.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.716 -1.593 . . . . 0.0 108.813 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.14 -15.68 57.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.787 2.035 . . . . 0.0 115.568 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.6 pt -100.27 -26.88 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.222 1.009 . . . . 0.0 113.427 165.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -30.24 66.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.856 1.262 . . . . 0.0 112.794 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.0 pt . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.778 1.231 . . . . 0.0 113.573 175.447 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 t80 . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 118.242 -0.885 . . . . 0.0 112.419 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.62 -43.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 129.718 3.207 . . . . 0.0 117.15 -155.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.12 -30.5 36.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 124.765 1.226 . . . . 0.0 113.713 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.23 -41.61 68.91 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.826 -0.546 . . . . 0.0 110.364 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.41 -48.82 73.93 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.187 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -53.39 32.18 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.736 1.153 . . . . 0.0 111.818 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -68.4 -38.92 81.73 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.516 -0.74 . . . . 0.0 112.43 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -41.96 97.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.729 0.776 . . . . 0.0 110.688 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.16 -54.01 21.02 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.967 2.107 . . . . 0.0 110.698 -175.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.32 -42.68 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.921 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.59 -27.41 62.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 119.065 -1.054 . . . . 0.0 113.607 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.05 -24.34 64.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.757 1.162 . . . . 0.0 111.234 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.82 -46.99 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.002 -1.061 . . . . 0.0 110.305 171.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.54 -48.32 72.85 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -119.83 -32.62 4.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.942 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.88 -13.91 64.7 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 114.093 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.365 3.5 t 55.24 37.87 29.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.324 2.25 . . . . 0.0 115.024 175.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -60.36 144.85 49.81 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.994 -1.066 . . . . 0.0 110.577 161.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -148.32 135.63 20.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.517 1.127 . . . . 0.0 111.74 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.74 170.34 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.9 2.08 . . . . 0.0 109.534 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.79 -169.93 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.519 1.927 . . . . 0.0 113.248 161.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.53 -6.55 0.19 Allowed Glycine 0 N--CA 1.475 1.291 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.9 m -48.7 -66.56 0.38 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.776 1.788 . . . . 0.0 111.37 170.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -67.88 -33.3 74.47 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.137 -0.977 . . . . 0.0 113.08 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -53.44 -54.64 34.05 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.208 1.003 . . . . 0.0 109.988 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.7 tptt -63.85 -43.01 97.4 Favored 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.089 1.355 . . . . 0.0 112.967 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 59' ' ' THR . 12.6 mptt -55.08 -49.44 71.66 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.446 1.475 . . . . 0.0 111.429 171.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.61 -40.21 76.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 119.838 -1.789 . . . . 0.0 112.449 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.4 p -80.63 -25.2 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.255 0.622 . . . . 0.0 111.923 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.5 t -71.65 -34.73 70.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.775 -1.203 . . . . 0.0 112.157 172.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -48.1 -55.13 10.99 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.388 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -36.58 75.25 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -54.25 -23.79 16.21 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.98 -1.009 . . . . 0.0 112.504 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -117.49 -26.18 6.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -66.14 -47.29 74.57 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 121.858 2.117 . . . . 0.0 112.861 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.91 -36.22 64.72 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.066 1.346 . . . . 0.0 112.325 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -89.68 -59.67 2.14 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -103.27 -69.77 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -163.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.865 2.066 . . . . 0.0 113.282 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.539 0.544 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.4 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 14.7 ttp180 -133.5 147.38 51.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.579 1.152 . . . . 0.0 111.823 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.6 mmt -123.05 9.21 9.29 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.48 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 58.2 m 51.16 -90.87 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.425 2.29 . . . . 0.0 114.581 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt -130.0 96.13 4.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.435 1.925 . . . . 0.0 110.287 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.49 -35.18 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.234 1.014 . . . . 0.0 110.588 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -1.22 57.59 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.262 1.411 . . . . 0.0 113.644 -170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.7 -71.33 0.58 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.447 1.499 . . . . 0.0 109.065 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.21 33.25 23.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.299 1.44 . . . . 0.0 114.286 -177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -56.96 165.02 1.36 Allowed 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 126.193 1.797 . . . . 0.0 112.013 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -37.14 -42.66 0.45 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.95 -31.7 56.79 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.192 -1.567 . . . . 0.0 113.798 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -93.22 8.41 40.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.074 2.549 . . . . 0.0 113.18 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.31 -10.98 60.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.346 1.459 . . . . 0.0 113.658 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.437 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -43.86 -31.05 0.76 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.733 1.213 . . . . 0.0 113.574 -175.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.4 tptp -47.79 -67.94 0.23 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.008 1.323 . . . . 0.0 113.512 165.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.507 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -67.33 -37.53 83.43 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.367 2.267 . . . . 0.0 109.773 -173.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -53.39 -47.58 69.4 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 129.478 3.111 . . . . 0.0 111.247 169.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.408 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.7 tm? -72.95 -45.8 56.05 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -59.01 -35.12 72.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.241 1.816 . . . . 0.0 114.655 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 pt -82.2 -28.97 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.872 0.76 . . . . 0.0 112.54 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -73.95 -30.94 62.81 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.7 pt -78.47 -172.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.513 1.125 . . . . 0.0 113.535 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -47.2 -44.22 22.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.58 2.352 . . . . 0.0 114.777 -171.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -155.43 160.19 40.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.613 1.565 . . . . 0.0 111.309 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.91 146.3 32.63 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 112.347 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' B' ' 34' ' ' LEU . 54.2 t80 -138.9 -35.05 0.58 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -167.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.88 -44.43 2.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.373 1.469 . . . . 0.0 112.957 164.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.37 -43.91 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 124.659 1.184 . . . . 0.0 112.11 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -57.39 -38.52 74.39 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.641 -0.662 . . . . 0.0 110.425 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' B' ' 30' ' ' TYR . 5.9 mt -62.0 -45.58 92.96 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.487 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.7 tp -54.36 -55.79 25.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.163 1.347 . . . . 0.0 112.054 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.3 t -66.52 -37.87 85.96 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 119.316 0.962 . . . . 0.0 111.795 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -61.84 -43.91 97.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.799 0.809 . . . . 0.0 110.766 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.68 -53.61 31.94 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.366 1.866 . . . . 0.0 110.853 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.63 -40.19 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 121.774 -0.579 . . . . 0.0 111.708 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.63 -26.25 62.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.636 -1.226 . . . . 0.0 113.277 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.91 -25.79 66.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.646 1.112 . . . . 0.0 111.799 171.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.15 -50.04 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.557 -1.339 . . . . 0.0 110.331 169.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.35 -45.62 75.81 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -170.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -121.4 -27.86 4.74 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.605 1.162 . . . . 0.0 113.279 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.79 -20.58 76.06 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 119.406 1.003 . . . . 0.0 113.105 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m 59.39 40.08 21.37 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.238 1.815 . . . . 0.0 113.505 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -64.42 129.88 41.61 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 162.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -161.93 118.47 2.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.714 1.205 . . . . 0.0 110.036 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 18.0 m -137.53 -155.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.015 1.726 . . . . 0.0 109.455 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -55.0 -179.51 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.749 1.219 . . . . 0.0 113.01 159.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 -7.08 1.25 Allowed Glycine 0 N--CA 1.472 1.086 0 O-C-N 120.003 -1.686 . . . . 0.0 116.992 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -43.23 -67.09 0.3 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.311 2.055 . . . . 0.0 112.296 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -67.56 -36.03 80.16 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -53.05 -54.12 40.07 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.776 1.23 . . . . 0.0 110.706 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.453 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.0 tptt -61.99 -44.09 97.47 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.651 1.58 . . . . 0.0 112.444 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.04 -47.17 71.88 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.488 1.495 . . . . 0.0 111.729 171.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.86 -37.38 70.24 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.314 -1.491 . . . . 0.0 113.167 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.4 p -84.99 -25.64 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.189 0.596 . . . . 0.0 112.569 178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -70.1 -34.23 72.87 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.506 -1.371 . . . . 0.0 111.486 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.78 -59.54 2.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.185 173.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.69 84.19 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.16 -19.2 31.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.213 0.605 . . . . 0.0 112.389 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.44 -33.52 5.56 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 163.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -64.93 -48.82 72.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.974 1.261 . . . . 0.0 113.688 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -72.5 -34.14 67.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.862 1.265 . . . . 0.0 112.503 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.31 -57.79 2.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -159.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 124.901 1.28 . . . . 0.0 113.186 -170.435 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.121 0.045 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -133.18 150.55 51.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.311 1.045 . . . . 0.0 113.579 -174.224 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -123.17 12.88 9.6 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m 47.4 -87.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.051 2.54 . . . . 0.0 115.385 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.34 114.28 12.8 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.289 2.313 . . . . 0.0 113.338 170.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.04 -35.25 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.575 1.55 . . . . 0.0 111.641 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.97 -1.35 35.65 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.102 1.334 . . . . 0.0 115.934 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -136.59 -51.27 0.69 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.181 1.491 . . . . 0.0 109.976 161.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.31 36.47 16.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 113.315 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.03 166.69 15.39 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.279 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -26.51 -50.22 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.54 -29.55 61.41 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.3 -1.5 . . . . 0.0 114.307 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -95.99 9.29 41.22 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.814 2.846 . . . . 0.0 113.208 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.03 -8.7 57.57 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 113.46 -171.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.6 pm0 -42.11 -32.35 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.926 1.691 . . . . 0.0 113.577 -177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 tptp -50.35 -68.75 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.718 1.607 . . . . 0.0 112.774 166.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.491 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.52 -35.83 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.479 2.311 . . . . 0.0 109.787 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -54.9 -53.34 56.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 125.08 1.352 . . . . 0.0 108.44 167.263 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.16 -42.37 80.13 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -162.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 129.435 3.094 . . . . 0.0 116.838 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 pt -83.0 -28.74 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 120.108 1.322 . . . . 0.0 112.478 168.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.19 -34.49 56.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.285 1.034 . . . . 0.0 112.2 -171.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.3 pt . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 125.713 1.605 . . . . 0.0 114.049 -179.106 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.547 ' CE2' HD21 ' A' ' 34' ' ' LEU . 59.2 t80 . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 113.948 1.092 . . . . 0.0 113.948 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.33 -40.22 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.502 1.521 . . . . 0.0 113.123 167.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.5 HG21 HG21 ' B' ' 32' ' ' ILE . 8.9 mm -72.03 -34.59 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.56 -44.37 65.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 166.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 30' ' ' TYR . 2.9 mt -62.88 -48.35 79.39 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.966 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.447 ' C ' HD23 ' A' ' 35' ' ' LEU . 4.8 tt -53.49 -56.05 20.19 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.815 1.189 . . . . 0.0 110.498 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -66.51 -38.6 87.57 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 118.841 0.746 . . . . 0.0 111.526 -173.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -42.74 99.67 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.371 0.605 . . . . 0.0 110.745 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.0 -53.44 31.41 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.212 1.805 . . . . 0.0 111.018 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -58.59 -42.61 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 121.766 -0.584 . . . . 0.0 111.259 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.68 -25.26 61.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 118.86 -1.136 . . . . 0.0 113.663 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -65.0 -32.64 74.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.391 0.996 . . . . 0.0 110.972 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.11 -45.28 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 120.641 -1.287 . . . . 0.0 110.222 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -66.28 -47.52 73.38 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -124.05 -30.53 3.48 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.401 1.081 . . . . 0.0 113.546 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.23 -11.02 58.31 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.036 -1.04 . . . . 0.0 114.338 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.361 3.6 t 55.71 38.06 29.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.456 2.302 . . . . 0.0 114.923 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -61.27 144.82 53.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.157 0.983 . . . . 0.0 110.454 164.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -148.0 125.77 11.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.967 0.907 . . . . 0.0 111.943 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.32 170.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 127.53 2.332 . . . . 0.0 109.015 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -61.17 -171.53 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.813 1.645 . . . . 0.0 112.061 165.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.44 0.2 Allowed Glycine 0 N--CA 1.475 1.263 0 N-CA-C 118.037 1.975 . . . . 0.0 118.037 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -47.23 -66.0 0.47 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.689 1.745 . . . . 0.0 111.401 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -69.98 -34.6 73.57 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.235 -0.916 . . . . 0.0 113.097 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -51.38 -54.97 21.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.519 1.128 . . . . 0.0 110.01 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.4 tptt -61.82 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 117.186 -1.387 . . . . 0.0 112.306 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.558 ' O ' HG22 ' A' ' 59' ' ' THR . 12.3 mptt -54.98 -50.23 69.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.7 1.591 . . . . 0.0 111.605 173.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 pp -82.37 -20.22 37.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 119.535 -1.978 . . . . 0.0 115.102 -173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.5 p -84.8 -27.01 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.625 0.648 . . . . 0.0 111.843 170.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.5 t -69.73 -31.66 69.77 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.69 -1.256 . . . . 0.0 112.276 171.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.6 -55.54 7.47 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -38.32 78.56 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.48 -18.56 11.81 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -116.86 -32.46 5.1 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 161.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.75 -45.84 92.77 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.299 1.863 . . . . 0.0 112.992 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -75.95 -38.27 57.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 112.651 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.24 -57.52 2.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.36 -40.59 6.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -158.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m120 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 113.045 -173.502 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.541 0.633 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -123.67 153.93 40.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.606 1.962 . . . . 0.0 110.7 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.59 11.7 9.89 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.456 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.265 62.5 m 50.43 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.501 2.321 . . . . 0.0 115.719 -177.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.11 110.16 6.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 122.613 2.46 . . . . 0.0 113.416 170.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -86.4 -35.32 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.122 1.769 . . . . 0.0 111.941 -175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -1.36 31.82 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.934 1.254 . . . . 0.0 115.5 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.79 -59.56 0.51 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.754 1.221 . . . . 0.0 111.313 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 34.93 18.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.58 1.552 . . . . 0.0 114.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.84 166.08 9.62 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.747 176.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -30.2 -47.01 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.03 -30.67 62.54 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.374 -1.454 . . . . 0.0 114.212 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -98.78 12.07 36.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.893 2.877 . . . . 0.0 112.726 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -80.34 -8.56 59.55 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.839 -1.163 . . . . 0.0 113.755 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -41.85 -30.19 0.24 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.869 1.668 . . . . 0.0 114.4 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -52.34 -67.24 0.27 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.708 1.603 . . . . 0.0 112.654 166.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.463 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.52 -36.63 79.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 128.002 2.521 . . . . 0.0 109.391 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -53.62 53.6 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.939 1.296 . . . . 0.0 108.802 167.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.91 -45.7 70.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -160.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . 0.413 HD21 ' HE2' ' B' ' 19' ' ' LYS . 67.3 m-20 -52.74 -46.06 67.27 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 129.019 2.928 . . . . 0.0 115.975 174.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.02 -28.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.908 0.776 . . . . 0.0 111.605 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.4 -32.38 54.77 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.027 0.931 . . . . 0.0 112.914 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.47 HG13 ' H ' ' B' ' 27' ' ' ASN . 14.2 pt -77.34 -65.12 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -172.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.47 ' H ' HG13 ' B' ' 26' ' ' ILE . 70.5 m-80 -141.74 11.5 2.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.115 2.166 . . . . 0.0 111.584 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 66.33 151.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.854 2.861 . . . . 0.0 116.602 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 54.6 26.67 7.61 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 165.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -73.55 -29.96 62.77 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.043 -1.661 . . . . 0.0 115.303 -171.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 -31.77 35.15 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.334 -1.479 . . . . 0.0 113.848 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.5 HG21 HG21 ' A' ' 32' ' ' ILE . 1.8 mp -64.85 -34.68 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.29 -49.31 69.92 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.445 1.098 . . . . 0.0 109.189 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.44 -47.46 86.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.041 -1.457 . . . . 0.0 111.141 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -52.92 -53.82 43.88 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.913 1.688 . . . . 0.0 111.745 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -70.9 -35.67 72.39 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.434 1.016 . . . . 0.0 111.646 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -40.6 97.87 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.585 0.707 . . . . 0.0 111.051 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.84 -53.67 20.1 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 126.749 2.02 . . . . 0.0 110.497 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -57.77 -41.82 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.484 0.584 . . . . 0.0 111.5 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.16 -25.39 62.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.645 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.33 -27.69 68.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.771 1.169 . . . . 0.0 112.215 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.01 -51.79 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 120.468 -1.395 . . . . 0.0 109.975 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.95 -40.29 79.04 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -167.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 t -124.7 -28.67 3.52 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.514 1.125 . . . . 0.0 113.519 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.18 72.64 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.73 1.15 . . . . 0.0 112.994 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.56 45.99 18.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.47 1.908 . . . . 0.0 113.368 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -57.65 140.83 50.23 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.481 -0.762 . . . . 0.0 110.6 163.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -152.99 115.42 4.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.084 1.354 . . . . 0.0 110.1 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.52 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.68 164.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.321 1.848 . . . . 0.0 109.489 -177.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -76.24 60.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.111 2.564 . . . . 0.0 114.505 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.86 69.69 Favored Glycine 0 N--CA 1.468 0.806 0 C-N-CA 127.448 2.451 . . . . 0.0 115.149 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.22 -61.08 2.87 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.057 1.928 . . . . 0.0 110.393 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.52 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.0 t -61.83 -36.29 80.76 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.975 -1.078 . . . . 0.0 113.201 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -55.41 -55.74 28.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.887 1.275 . . . . 0.0 111.107 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.519 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.3 tptt -60.72 -41.43 95.27 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.229 1.411 . . . . 0.0 112.556 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.88 98.46 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.697 1.59 . . . . 0.0 111.929 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.83 -42.97 84.96 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 120.024 -1.672 . . . . 0.0 112.616 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.4 p -82.69 -24.38 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.221 0.608 . . . . 0.0 112.218 -177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.37 -34.66 68.12 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.892 -1.13 . . . . 0.0 112.345 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -46.95 -56.77 5.81 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.291 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 118.849 0.75 . . . . 0.0 112.339 175.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.08 -19.41 31.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.917 0.887 . . . . 0.0 113.2 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.252 24.4 mtt180 -117.18 -32.23 5.07 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 158.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.2 -46.66 87.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.036 1.743 . . . . 0.0 113.605 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -75.65 -38.22 59.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.081 1.352 . . . . 0.0 112.719 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -87.76 -55.87 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.587 1.555 . . . . 0.0 115.078 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -104.29 -78.17 0.56 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.395 1.878 . . . . 0.0 113.443 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.531 2.332 . . . . 0.0 112.435 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 121.085 0.469 . . . . 0.0 112.151 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 3.8 ttp180 -71.29 152.69 43.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.846 1.258 . . . . 0.0 112.716 -169.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -120.65 8.04 10.6 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.489 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 51.1 m 50.93 -91.67 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.421 2.288 . . . . 0.0 114.997 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -131.96 96.36 3.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 121.395 1.907 . . . . 0.0 111.044 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.4 -33.84 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.068 1.347 . . . . 0.0 111.477 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.76 1.81 52.58 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.542 1.544 . . . . 0.0 115.425 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -135.79 -50.82 0.72 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.259 1.53 . . . . 0.0 110.072 160.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.73 36.61 18.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.459 1.504 . . . . 0.0 113.473 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.65 168.28 13.44 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.49 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -28.11 -49.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.27 -29.04 57.29 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.293 -1.504 . . . . 0.0 114.273 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -94.62 7.96 43.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.628 2.771 . . . . 0.0 113.188 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.51 -9.49 58.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.725 -1.235 . . . . 0.0 113.514 -170.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -45.0 -27.87 0.6 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.173 1.389 . . . . 0.0 113.845 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -49.29 -71.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.808 1.643 . . . . 0.0 113.467 163.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.1 mm? -67.67 -36.62 81.05 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.531 2.332 . . . . 0.0 109.698 -172.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -51.39 -48.96 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 129.944 3.297 . . . . 0.0 111.306 166.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.88 -41.38 62.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 117.554 -1.659 . . . . 0.0 107.927 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.57 -34.29 76.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.332 1.853 . . . . 0.0 114.396 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.4 pt -80.22 -28.45 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.317 0.962 . . . . 0.0 112.737 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -72.45 -32.92 66.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.566 0.746 . . . . 0.0 112.582 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt . . . . . 0 N--CA 1.476 0.872 0 C-N-CA 125.059 1.343 . . . . 0.0 113.653 176.501 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' A' ' 34' ' ' LEU . 55.8 t80 . . . . . 0 CA--C 1.545 0.763 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.06 -41.52 7.7 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.444 -1.41 . . . . 0.0 113.353 168.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.01 -39.72 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.252 -0.905 . . . . 0.0 111.489 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.78 -39.32 68.29 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.687 -0.633 . . . . 0.0 110.478 170.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mt -64.45 -46.98 80.76 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 117.195 -1.383 . . . . 0.0 110.788 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.4 tp -51.59 -56.12 15.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.409 1.459 . . . . 0.0 111.642 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -67.08 -38.89 86.52 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 121.381 0.61 . . . . 0.0 111.804 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -60.06 -44.79 94.47 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.565 0.697 . . . . 0.0 110.96 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.93 -55.49 14.37 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.869 2.068 . . . . 0.0 110.741 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.64 -43.15 82.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.882 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.49 -29.16 64.5 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 118.574 -1.25 . . . . 0.0 113.643 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.06 -23.18 63.04 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.191 -0.943 . . . . 0.0 111.532 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.55 -46.52 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 120.909 -1.119 . . . . 0.0 109.955 172.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -66.57 -47.83 71.56 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.256 1.022 . . . . 0.0 113.705 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -121.75 -28.93 4.43 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.304 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.93 -19.79 75.61 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 113.598 171.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 56.97 45.06 21.87 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.533 1.933 . . . . 0.0 114.048 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -57.48 143.32 41.03 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.277 -0.889 . . . . 0.0 110.277 160.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -144.25 122.05 11.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.262 1.025 . . . . 0.0 111.844 -174.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -164.43 171.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 127.607 2.363 . . . . 0.0 108.922 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.27 -170.77 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.353 1.861 . . . . 0.0 113.524 162.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.6 -6.38 0.47 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 117.458 1.743 . . . . 0.0 117.458 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -47.93 -64.41 0.8 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.913 1.856 . . . . 0.0 111.504 169.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 t -66.69 -36.64 82.99 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.888 -1.132 . . . . 0.0 113.094 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -52.22 -56.17 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.677 1.191 . . . . 0.0 110.209 170.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -60.51 -45.12 94.96 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-O 116.705 -1.617 . . . . 0.0 112.47 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.585 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -51.81 -53.24 42.35 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.004 1.729 . . . . 0.0 111.768 171.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.25 -18.02 43.93 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 119.908 -1.745 . . . . 0.0 115.011 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.7 p -89.07 -26.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.592 0.633 . . . . 0.0 112.027 169.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.7 t -67.7 -30.01 69.41 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.508 -1.37 . . . . 0.0 112.089 171.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.93 -57.05 4.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.151 167.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -36.7 77.7 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.651 0.659 . . . . 0.0 112.072 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.0 -19.73 5.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -123.43 -26.63 4.21 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 162.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -65.39 -45.38 84.22 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.743 1.611 . . . . 0.0 112.987 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.9 -37.51 64.64 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.906 -1.121 . . . . 0.0 112.159 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.42 -60.5 1.82 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -102.67 -37.12 8.06 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -157.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.704 2.002 . . . . 0.0 112.211 -177.169 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -139.59 145.9 39.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.387 1.475 . . . . 0.0 110.98 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.08 8.79 11.64 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.453 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 56.2 m 50.87 -92.02 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.204 2.202 . . . . 0.0 114.269 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.83 95.46 3.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.991 1.723 . . . . 0.0 110.398 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -76.13 -34.42 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.97 0.908 . . . . 0.0 110.89 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.31 7.65 56.95 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.858 1.218 . . . . 0.0 113.957 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -139.65 -65.9 0.46 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.836 1.654 . . . . 0.0 110.511 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER 47.85 35.65 5.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.45 1.9 . . . . 0.0 114.441 -177.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -63.8 171.88 2.51 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 126.27 1.828 . . . . 0.0 112.467 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -39.66 -41.26 1.04 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.169 2.285 . . . . 0.0 117.169 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.15 -33.61 43.94 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.407 -1.433 . . . . 0.0 113.787 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.8 11.14 25.71 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.332 2.253 . . . . 0.0 113.052 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.2 -10.34 58.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.879 1.672 . . . . 0.0 114.353 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -41.92 -33.42 0.54 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.005 1.722 . . . . 0.0 113.676 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 1.3 tptp -48.55 -69.69 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.349 1.86 . . . . 0.0 113.029 165.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.575 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -67.41 -37.31 82.89 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.417 1.887 . . . . 0.0 109.843 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -53.94 -51.8 62.66 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 125.065 1.346 . . . . 0.0 108.561 169.191 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.442 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.1 tm? -68.74 -44.82 73.0 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -165.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.92 -37.48 68.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 128.187 2.595 . . . . 0.0 115.409 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -81.34 -27.26 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.348 0.976 . . . . 0.0 112.791 172.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -76.4 -31.66 58.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.409 1.083 . . . . 0.0 112.702 -176.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.4 pt -76.17 -176.43 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.981 1.312 . . . . 0.0 113.37 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -61.21 -28.88 69.46 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -150.38 144.03 25.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.512 1.125 . . . . 0.0 112.008 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.0 146.22 55.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.277 1.031 . . . . 0.0 111.939 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . 0.516 ' CE2' HD21 ' B' ' 34' ' ' LEU . 46.3 t80 -142.21 -36.05 0.42 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -160.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.21 -45.04 5.51 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.051 1.341 . . . . 0.0 113.068 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.23 -40.2 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.506 1.122 . . . . 0.0 112.094 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.16 -43.39 67.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 171.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.516 HD21 ' CE2' ' B' ' 30' ' ' TYR . 5.7 mt -61.89 -47.34 85.41 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.377 174.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 tp -52.0 -56.35 14.83 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.842 1.201 . . . . 0.0 112.112 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -68.36 -38.66 81.63 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.913 0.778 . . . . 0.0 111.464 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 t -61.28 -43.93 98.07 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.522 0.677 . . . . 0.0 110.718 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.29 -56.39 12.98 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.341 1.856 . . . . 0.0 110.763 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.77 -43.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.097 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.91 -29.27 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -69.88 -24.82 63.47 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.502 1.046 . . . . 0.0 111.139 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.1 -46.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.918 -1.113 . . . . 0.0 110.139 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.4 -46.48 69.88 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.6 t -120.62 -30.67 4.45 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.542 1.137 . . . . 0.0 113.192 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.81 -13.88 69.61 Favored Glycine 0 CA--C 1.541 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 114.248 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.307 74.4 p 52.46 39.91 28.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.36 2.264 . . . . 0.0 115.648 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -55.61 145.86 22.29 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.4 -0.813 . . . . 0.0 110.54 159.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -146.28 127.35 14.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.501 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.13 170.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 127.389 2.276 . . . . 0.0 109.009 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.17 -170.86 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.674 1.59 . . . . 0.0 111.822 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.67 -7.01 0.13 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 44.5 m -46.62 -67.63 0.26 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.723 1.762 . . . . 0.0 111.854 170.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -67.19 -35.25 79.25 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.096 -1.003 . . . . 0.0 113.021 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -52.31 -54.92 25.35 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 110.109 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.4 tptt -62.91 -42.81 99.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 124.748 1.219 . . . . 0.0 112.48 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.622 ' O ' HG22 ' B' ' 59' ' ' THR . 12.8 mptt -53.53 -53.01 57.67 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.467 1.485 . . . . 0.0 111.704 171.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.82 -20.33 39.3 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 119.68 -1.888 . . . . 0.0 114.838 -173.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.9 p -85.82 -26.36 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.68 0.673 . . . . 0.0 111.91 169.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.622 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.8 t -68.04 -32.8 73.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.584 -1.322 . . . . 0.0 111.356 171.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.68 -57.02 4.56 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.485 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -38.07 80.14 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.34 -18.0 9.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.326 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -121.86 -26.21 4.86 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 159.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.01 -47.52 82.75 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.381 1.901 . . . . 0.0 112.46 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -73.37 -35.82 65.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.303 1.441 . . . . 0.0 112.235 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -87.42 -60.48 1.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -176.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.06 -41.21 4.76 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -162.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -168.581 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.472 0.628 0 N-CA-C 110.666 -0.124 . . . . 0.0 110.666 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 36.6 ttp180 -130.22 142.96 50.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.371 1.469 . . . . 0.0 110.821 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.4 mmt -124.66 73.41 1.26 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.78 0.8 . . . . 0.0 109.37 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.436 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 20.2 m -53.73 124.01 13.95 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.016 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' H ' ' HE2' ' A' ' 19' ' ' LYS 0.482 0.0 OUTLIER 35.69 67.54 0.28 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.284 3.434 . . . . 0.0 117.273 177.804 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 9' ' ' ILE . 1.3 mt -62.28 -30.29 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 169.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.09 5.03 57.44 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.089 0.852 . . . . 0.0 114.705 -167.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -140.83 -73.32 0.34 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.231 1.412 . . . . 0.0 111.233 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.11 47.29 19.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.764 2.026 . . . . 0.0 115.836 172.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -130.06 139.09 51.03 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -174.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.356 2.8 t 49.32 -84.15 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 129.819 3.247 . . . . 0.0 113.212 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 -29.11 70.22 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.226 1.01 . . . . 0.0 112.736 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -105.36 6.86 33.01 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 0.0 112.867 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.77 -15.03 61.07 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.94 -28.36 0.66 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.2 tptt -48.9 -70.67 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.107 1.763 . . . . 0.0 113.698 163.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.6 mm? -68.04 -34.69 76.96 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 126.302 1.841 . . . . 0.0 110.331 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -52.55 -47.87 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 128.909 2.884 . . . . 0.0 110.936 168.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.73 -39.88 63.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.016 -1.874 . . . . 0.0 108.364 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 19' ' ' LYS . 89.3 m-20 -64.44 -22.44 66.96 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -91.33 -27.16 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.94 1.245 . . . . 0.0 112.703 167.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.85 -29.51 65.66 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.069 0.947 . . . . 0.0 112.497 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.1 pt . . . . . 0 N--CA 1.477 0.915 0 C-N-CA 125.249 1.42 . . . . 0.0 113.494 173.629 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.2 t80 . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.0 55.1 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CG2' ' B' ' 32' ' ' ILE . 40.7 mm -74.42 -22.07 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 120.889 -1.132 . . . . 0.0 113.184 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.49 -41.9 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.632 -1.293 . . . . 0.0 110.177 171.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.38 -43.49 98.78 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.546 1.138 . . . . 0.0 111.093 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.414 HD13 ' HG ' ' A' ' 60' ' ' LEU . 48.4 tp -53.19 -51.58 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.153 1.342 . . . . 0.0 111.238 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 m -65.0 -43.69 91.72 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 119.172 0.896 . . . . 0.0 111.988 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.1 p -61.82 -38.74 89.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.248 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.18 -52.67 13.28 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 126.086 1.755 . . . . 0.0 111.422 -174.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.88 -42.27 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 121.609 -0.682 . . . . 0.0 110.933 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.92 -27.32 61.8 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 118.492 -1.283 . . . . 0.0 113.342 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -67.87 -22.73 65.1 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.021 -1.049 . . . . 0.0 111.71 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.14 -47.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.579 -1.325 . . . . 0.0 110.43 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.55 -47.42 75.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 0.0 113.508 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -118.6 -33.06 4.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.609 1.164 . . . . 0.0 112.868 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -19.33 71.88 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 121.184 -0.948 . . . . 0.0 113.739 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.78 41.62 21.35 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.629 1.972 . . . . 0.0 114.272 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.41 145.19 56.47 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.073 -1.017 . . . . 0.0 110.821 161.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -150.67 137.1 18.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.392 1.077 . . . . 0.0 112.423 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.501 HG13 ' H ' ' A' ' 53' ' ' THR . 3.0 p -163.42 164.87 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 127.203 2.201 . . . . 0.0 109.545 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.65 -22.83 64.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -163.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.06 -11.46 0.03 OUTLIER Glycine 0 N--CA 1.467 0.719 0 C-N-CA 124.818 1.199 . . . . 0.0 114.185 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -49.88 -58.2 5.89 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.819 1.248 . . . . 0.0 110.691 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.501 ' H ' HG13 ' A' ' 49' ' ' VAL . 9.9 t -65.49 -44.33 87.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.261 -0.899 . . . . 0.0 112.531 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -47.09 -53.17 13.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.97 0.908 . . . . 0.0 110.655 172.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.8 tptt -60.64 -43.6 97.37 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.666 1.586 . . . . 0.0 112.369 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' HD23 ' A' ' 60' ' ' LEU . 2.1 mptm? -57.62 -52.07 66.92 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.704 1.593 . . . . 0.0 111.717 172.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -70.28 -34.42 72.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 119.605 -1.934 . . . . 0.0 111.553 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.1 p -78.83 -30.65 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.27 0.628 . . . . 0.0 112.548 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 t -71.94 -35.51 69.62 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.276 -1.515 . . . . 0.0 111.966 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 56' ' ' LYS . 2.1 mm? -46.32 -59.73 2.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.458 1.103 . . . . 0.0 110.048 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -40.33 82.59 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.513 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.46 -15.17 24.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.547 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -112.09 -32.3 6.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 159.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -67.4 -44.87 77.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 121.583 1.992 . . . . 0.0 113.868 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -73.64 -31.0 63.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.868 1.267 . . . . 0.0 112.685 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -101.77 -65.07 1.0 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -92.93 -41.46 10.01 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -163.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.988 1.315 . . . . 0.0 113.141 -171.617 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 N--CA 1.473 0.681 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 17.1 ttp180 -129.23 152.77 48.44 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.427 1.891 . . . . 0.0 111.361 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -121.12 11.66 10.95 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.488 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.257 49.1 m 48.13 -90.97 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.218 2.207 . . . . 0.0 115.458 -178.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 90.67 2.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 121.699 2.045 . . . . 0.0 112.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -72.02 -31.2 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 110.894 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.67 4.79 65.31 Favored Glycine 0 CA--C 1.545 1.949 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.64 -63.76 0.61 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.556 1.178 . . . . 0.0 111.236 168.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.28 31.38 11.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -62.21 168.21 3.55 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 124.851 1.26 . . . . 0.0 111.543 175.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.1 t -33.66 -47.55 0.24 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -72.13 -34.32 68.48 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.392 -1.443 . . . . 0.0 113.724 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -94.71 11.9 29.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.358 2.663 . . . . 0.0 112.875 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.55 -9.4 59.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 113.465 -171.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -44.37 -27.47 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.103 1.361 . . . . 0.0 114.502 -177.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.3 tptp -50.9 -69.47 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.639 1.575 . . . . 0.0 113.673 163.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.486 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -67.93 -39.01 83.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 127.505 2.322 . . . . 0.0 109.327 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -47.66 -49.86 26.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 130.084 3.354 . . . . 0.0 111.513 165.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.81 -43.76 57.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 118.107 -1.437 . . . . 0.0 108.608 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.08 -33.56 72.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.217 1.807 . . . . 0.0 114.058 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 pt -82.97 -28.65 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.65 -33.62 69.06 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 112.518 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 pt -77.53 -178.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 124.548 1.139 . . . . 0.0 113.522 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -63.79 -29.03 70.28 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 -167.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -147.86 156.56 42.83 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.426 1.09 . . . . 0.0 112.412 168.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -62.13 149.74 40.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.97 1.308 . . . . 0.0 112.147 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -137.4 -42.47 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -170.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.31 -43.37 0.79 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.918 1.687 . . . . 0.0 113.908 168.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.424 ' CG2' HG21 ' A' ' 32' ' ' ILE . 2.0 mp -66.98 -39.84 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.284 1.034 . . . . 0.0 112.113 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.65 -38.75 75.62 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.238 -0.914 . . . . 0.0 110.19 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.03 -45.22 94.55 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.542 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.29 -53.79 32.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.767 1.621 . . . . 0.0 111.256 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.4 -39.7 95.21 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.336 1.065 . . . . 0.0 113.03 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -41.82 99.01 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.667 1.222 . . . . 0.0 111.446 177.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.58 -54.4 16.81 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.923 2.089 . . . . 0.0 110.558 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -58.5 -40.53 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 O-C-N 121.658 -0.651 . . . . 0.0 111.566 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -70.57 -27.1 63.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.082 175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -63.59 -31.39 72.54 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.601 1.091 . . . . 0.0 112.047 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.4 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.6 mp -76.32 -51.81 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 120.333 -1.479 . . . . 0.0 110.515 169.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -66.72 -39.48 88.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.941 1.296 . . . . 0.0 113.797 -167.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -133.56 -23.14 1.87 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.609 1.164 . . . . 0.0 113.805 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.16 -21.69 73.95 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 119.656 1.117 . . . . 0.0 112.134 167.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 59.32 48.69 9.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.528 1.931 . . . . 0.0 112.797 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -51.56 131.62 29.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.598 -0.689 . . . . 0.0 109.834 163.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -139.53 33.34 2.05 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.483 1.513 . . . . 0.0 113.157 -167.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -89.48 170.72 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 127.403 2.281 . . . . 0.0 110.627 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.81 -170.38 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.753 2.021 . . . . 0.0 112.916 162.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.28 -7.4 0.36 Allowed Glycine 0 N--CA 1.472 1.062 0 N-CA-C 118.027 1.971 . . . . 0.0 118.027 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -47.51 -65.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.401 2.101 . . . . 0.0 111.688 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.3 t -68.08 -33.32 74.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.056 -1.027 . . . . 0.0 113.054 -175.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -55.41 -53.32 57.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.492 1.117 . . . . 0.0 110.24 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.458 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.3 tptt -60.5 -43.35 97.12 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 125.6 1.56 . . . . 0.0 111.997 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.52 -43.31 89.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.228 1.376 . . . . 0.0 112.236 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.31 -42.66 71.69 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.495 -1.378 . . . . 0.0 112.509 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.1 p -79.8 -29.16 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.205 0.602 . . . . 0.0 112.095 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -70.54 -33.37 71.08 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.77 -1.207 . . . . 0.0 112.251 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -58.97 3.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.014 174.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -35.86 81.33 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.73 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -58.97 -18.89 38.18 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -114.68 -24.62 8.65 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 159.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -75.03 -48.73 22.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 122.071 2.214 . . . . 0.0 113.332 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -67.2 -30.88 70.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.993 1.317 . . . . 0.0 112.351 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -97.99 -61.01 1.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.12 -40.32 5.24 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -155.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.966 2.106 . . . . 0.0 111.889 -178.426 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.472 0.656 0 N-CA-C 111.485 0.18 . . . . 0.0 111.485 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.422 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.1 ttp180 -128.18 155.32 44.67 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.189 1.795 . . . . 0.0 111.046 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -123.63 10.68 9.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.51 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 68.7 m 48.71 -82.27 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.942 2.497 . . . . 0.0 116.272 -177.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.3 109.11 6.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 122.268 2.304 . . . . 0.0 113.468 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -88.66 -35.19 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.112 1.765 . . . . 0.0 111.835 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.62 -5.38 26.21 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.398 1.319 . . . . 0.0 116.398 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -139.88 -44.07 0.43 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.491 1.645 . . . . 0.0 111.535 167.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.32 40.2 10.19 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.171 2.188 . . . . 0.0 115.183 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.17 171.05 15.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.072 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -24.46 -52.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.92 -22.31 42.88 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.154 -1.591 . . . . 0.0 114.149 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -100.38 8.68 43.48 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.242 3.017 . . . . 0.0 112.945 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -75.52 -12.39 60.22 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.787 -1.195 . . . . 0.0 113.629 -170.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -44.41 -28.29 0.54 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.558 1.543 . . . . 0.0 114.106 -172.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -50.89 -71.29 0.07 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.87 1.668 . . . . 0.0 113.676 163.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.579 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -66.63 -35.15 79.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.028 2.131 . . . . 0.0 109.747 -173.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -52.08 -48.05 64.88 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 129.462 3.105 . . . . 0.0 111.574 167.124 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -73.34 -40.56 64.35 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.651 -1.62 . . . . 0.0 108.825 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -66.58 -18.13 65.2 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.414 1.885 . . . . 0.0 114.943 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -95.38 -27.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.027 0.931 . . . . 0.0 113.134 165.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.37 -29.92 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.379 1.072 . . . . 0.0 112.377 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 pt . . . . . 0 N--CA 1.476 0.836 0 C-N-CA 125.243 1.417 . . . . 0.0 113.519 173.762 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.678 ' CE2' HD11 ' A' ' 34' ' ' LEU . 68.2 t80 . . . . . 0 CA--C 1.538 0.506 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -42.47 -35.11 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.055 2.142 . . . . 0.0 114.715 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.48 -35.03 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 O-C-N 121.239 -0.913 . . . . 0.0 112.255 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.87 -42.95 85.6 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 120.641 -1.287 . . . . 0.0 110.032 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 30' ' ' TYR . 4.9 mp -59.75 -51.16 70.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.499 -1.239 . . . . 0.0 109.679 172.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -49.35 -55.42 12.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.699 1.136 . . . . 0.0 111.959 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -66.43 -41.65 88.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.601 0.637 . . . . 0.0 111.58 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -42.12 93.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.273 1.035 . . . . 0.0 110.773 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.491 ' HB3' HD11 ' A' ' 57' ' ' LEU . 27.0 mm-40 -73.04 -52.26 15.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.02 1.728 . . . . 0.0 110.737 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 57' ' ' LEU . 2.0 pp -58.24 -40.75 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.9 . . . . 0.0 111.637 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.07 -26.8 62.31 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.854 -1.138 . . . . 0.0 113.267 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -66.45 -23.93 66.35 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.541 1.064 . . . . 0.0 111.79 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.09 -50.74 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 120.463 -1.398 . . . . 0.0 110.329 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.79 -45.87 80.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.159 0.983 . . . . 0.0 113.608 -170.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -118.32 -31.31 5.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.545 1.138 . . . . 0.0 112.993 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.41 -15.8 75.25 Favored Glycine 0 CA--C 1.54 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 114.14 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.309 77.2 p 54.11 44.49 29.14 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.037 2.135 . . . . 0.0 115.282 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.48 139.57 57.96 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.534 -0.728 . . . . 0.0 110.6 159.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -150.45 137.73 19.51 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.717 1.607 . . . . 0.0 110.297 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.581 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -164.84 161.66 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 126.281 1.832 . . . . 0.0 110.221 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -77.05 65.57 2.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.614 2.366 . . . . 0.0 115.157 -168.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.93 -12.14 62.75 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 127.652 2.548 . . . . 0.0 115.026 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.6 m -59.88 -58.5 8.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.232 1.516 . . . . 0.0 110.063 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.581 ' H ' HG13 ' A' ' 49' ' ' VAL . 10.9 t -64.29 -38.66 91.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.122 -0.986 . . . . 0.0 113.217 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -50.21 -56.52 10.75 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.091 0.956 . . . . 0.0 110.21 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.0 tptt -60.85 -43.9 97.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 124.94 1.296 . . . . 0.0 112.845 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 59' ' ' THR . 1.3 mptm? -60.93 -44.84 96.64 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.918 1.69 . . . . 0.0 112.247 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 39' ' ' ILE . 3.3 mm? -81.23 -26.47 35.84 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 119.921 -1.737 . . . . 0.0 113.695 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.2 p -77.87 -29.03 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 119.297 0.953 . . . . 0.0 111.832 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.4 t -72.49 -32.97 66.62 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.307 -1.496 . . . . 0.0 112.32 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.87 -55.83 6.18 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.094 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -40.31 78.36 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.72 -15.99 14.55 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.641 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -111.22 -36.57 5.56 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 160.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.909 1.686 . . . . 0.0 112.855 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -73.59 -34.17 64.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.675 1.59 . . . . 0.0 112.273 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.13 -63.16 1.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -87.17 -44.26 11.62 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -164.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.405 1.482 . . . . 0.0 113.088 -171.323 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.546 0.792 0 CA-C-O 122.299 1.047 . . . . 0.0 113.032 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.574 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 51.5 ttp180 -57.79 149.89 21.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.146 2.579 . . . . 0.0 112.519 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -126.61 59.58 1.36 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.722 0.772 . . . . 0.0 112.354 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.1 m -66.66 109.16 2.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.24 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -130.38 139.05 50.66 Favored 'General case' 0 CA--C 1.536 0.412 1 C-N-CA 135.814 5.645 . . . . 0.0 107.003 -6.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -89.94 -30.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.393 0.677 . . . . 0.0 112.46 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.98 6.85 63.04 Favored Glycine 0 CA--C 1.545 1.908 0 C-N-CA 124.498 1.047 . . . . 0.0 114.383 -171.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.53 -65.41 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.441 1.496 . . . . 0.0 110.604 167.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.42 34.09 17.38 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.379 1.472 . . . . 0.0 114.017 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.45 166.99 2.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.156 1.782 . . . . 0.0 111.723 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -37.67 -43.0 0.6 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -173.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -31.95 51.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.21 -1.556 . . . . 0.0 113.79 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -91.39 8.49 35.97 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.941 2.496 . . . . 0.0 113.113 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.17 -10.77 59.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 113.879 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.45 -28.91 0.62 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.231 1.412 . . . . 0.0 114.213 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.574 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.7 tptt -48.29 -70.34 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.568 1.547 . . . . 0.0 112.338 164.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.559 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.6 -36.92 79.35 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.741 2.416 . . . . 0.0 110.107 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -52.21 66.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.132 1.373 . . . . 0.0 108.433 169.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -38.83 69.85 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 115.905 -2.318 . . . . 0.0 106.618 -164.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -54.75 -34.76 62.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.117 2.167 . . . . 0.0 116.201 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.4 pt -81.44 -27.19 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 121.909 2.14 . . . . 0.0 112.654 169.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -78.72 -31.61 46.48 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.43 1.092 . . . . 0.0 113.178 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.6 pt -77.74 -169.05 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 125.036 1.334 . . . . 0.0 113.38 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -49.2 -42.89 41.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.628 2.371 . . . . 0.0 114.782 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -155.03 161.48 41.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.428 1.491 . . . . 0.0 111.846 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.15 144.39 45.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.349 1.06 . . . . 0.0 111.924 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -140.35 -32.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -167.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.03 -40.22 60.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.546 1.521 . . . . 0.0 112.255 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.4 -40.36 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.388 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -59.23 -41.11 87.91 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.364 -0.835 . . . . 0.0 110.742 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.42 -40.77 96.41 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 116.353 -1.784 . . . . 0.0 111.592 171.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.9 tp -54.29 -55.43 28.39 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 121.187 1.812 . . . . 0.0 111.081 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.0 t -66.54 -37.39 84.88 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 121.879 0.847 . . . . 0.0 111.904 -176.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t -61.28 -45.51 94.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.638 0.732 . . . . 0.0 110.729 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.32 -50.25 41.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.822 2.049 . . . . 0.0 111.838 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.1 -40.74 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 121.503 -0.748 . . . . 0.0 111.188 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.69 -25.18 61.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 118.681 -1.208 . . . . 0.0 113.966 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.26 -28.62 70.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.274 0.943 . . . . 0.0 111.459 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.95 -51.58 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.706 -1.246 . . . . 0.0 110.824 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.78 -39.01 92.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.658 1.183 . . . . 0.0 113.547 -168.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -127.67 -32.47 2.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.67 1.188 . . . . 0.0 113.647 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.36 -22.22 72.8 Favored Glycine 0 CA--C 1.535 1.33 0 O-C-N 121.0 -1.062 . . . . 0.0 113.01 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m 54.41 47.36 23.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.334 1.854 . . . . 0.0 112.806 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.86 -66.07 0.28 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.569 2.348 . . . . 0.0 113.721 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 50.03 46.64 24.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.474 2.31 . . . . 0.0 114.964 164.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.14 -163.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.251 1.02 . . . . 0.0 110.458 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.95 -178.69 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 162.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.35 -7.14 0.79 Allowed Glycine 0 N--CA 1.471 1.0 0 O-C-N 119.929 -1.732 . . . . 0.0 117.395 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -46.92 -64.06 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.662 2.231 . . . . 0.0 111.81 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.4 t -66.23 -35.25 79.93 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.976 -1.078 . . . . 0.0 112.617 -174.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -56.26 -55.47 32.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.045 1.338 . . . . 0.0 110.688 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.468 ' HA ' HG12 ' B' ' 58' ' ' VAL . 24.3 tptt -60.93 -43.36 98.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 125.833 1.653 . . . . 0.0 112.295 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -56.69 -44.93 81.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.359 1.436 . . . . 0.0 111.834 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.98 -39.26 72.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 119.74 -1.85 . . . . 0.0 113.243 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.9 p -82.68 -25.22 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.972 0.509 . . . . 0.0 112.167 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.758 -1.214 . . . . 0.0 112.024 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.89 -59.26 2.92 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.457 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -37.76 84.39 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.87 -24.37 15.72 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 118.147 -0.93 . . . . 0.0 112.435 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -117.24 -27.87 6.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 166.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -66.37 -43.89 84.66 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 121.184 1.811 . . . . 0.0 112.982 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -75.28 -33.9 61.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.338 1.055 . . . . 0.0 112.467 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.47 -63.2 1.15 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -99.75 -42.7 6.73 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -160.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.355 1.862 . . . . 0.0 113.19 -175.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.4 mtm . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 121.513 0.673 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.6 ttp180 -62.18 151.31 36.34 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.515 1.126 . . . . 0.0 110.781 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -117.87 9.56 12.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.542 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 71.9 m 44.86 -88.02 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.162 2.585 . . . . 0.0 115.266 -176.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -126.97 90.39 3.14 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 121.04 1.746 . . . . 0.0 110.608 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.7 -39.36 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.516 -0.74 . . . . 0.0 110.45 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.72 6.78 54.28 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 124.598 1.094 . . . . 0.0 113.992 -169.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.87 -64.36 0.48 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.275 1.43 . . . . 0.0 110.621 168.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.05 34.11 16.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.436 1.494 . . . . 0.0 114.282 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 165.07 6.68 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.258 1.423 . . . . 0.0 111.218 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -32.99 -45.15 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.718 2.488 . . . . 0.0 117.718 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.67 -32.08 60.01 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.097 -1.627 . . . . 0.0 113.812 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -93.36 4.75 53.46 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.195 2.598 . . . . 0.0 113.102 174.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.7 -10.88 60.05 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.474 1.51 . . . . 0.0 114.293 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -43.5 -28.06 0.33 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.037 1.735 . . . . 0.0 114.834 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.5 tptp -50.64 -69.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.983 1.713 . . . . 0.0 112.734 163.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.535 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.13 -36.78 77.83 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.866 2.466 . . . . 0.0 109.555 -173.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -51.8 66.09 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.292 1.437 . . . . 0.0 108.362 168.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.2 tp -69.54 -46.12 67.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 117.114 -1.835 . . . . 0.0 106.616 -164.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -50.66 -42.69 56.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.997 2.519 . . . . 0.0 115.2 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -77.38 -28.07 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 119.716 1.144 . . . . 0.0 112.237 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -76.25 -30.86 58.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.986 0.915 . . . . 0.0 112.629 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.5 pt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.294 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.255 0.2 OUTLIER . . . . . 0 CA--C 1.552 1.024 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 47.49 -48.73 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.362 3.065 . . . . 0.0 116.097 -141.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' B' ' 32' ' ' ILE . 18.0 mm -69.56 -27.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 126.156 1.782 . . . . 0.0 113.372 -175.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -44.68 78.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.911 0.862 . . . . 0.0 109.13 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.92 -45.98 86.84 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 117.179 -1.391 . . . . 0.0 110.473 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -50.89 -55.89 14.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.029 1.286 . . . . 0.0 112.18 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -66.52 -39.4 88.63 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 118.788 0.722 . . . . 0.0 111.626 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 t -61.03 -44.66 97.07 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.79 0.805 . . . . 0.0 110.918 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -66.04 -54.57 24.18 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.494 1.917 . . . . 0.0 110.855 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.95 -40.84 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 O-C-N 121.827 -0.546 . . . . 0.0 111.63 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.66 -27.33 63.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.118 174.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.84 -25.14 65.4 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.731 1.151 . . . . 0.0 111.824 172.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -82.06 -48.59 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.479 -1.388 . . . . 0.0 110.222 170.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.4 -45.72 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -171.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -118.56 -31.97 4.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.579 1.152 . . . . 0.0 113.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.08 -19.08 71.62 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.976 -1.078 . . . . 0.0 113.286 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 59.17 39.65 22.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.47 1.908 . . . . 0.0 113.803 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -66.81 135.78 54.45 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.155 -0.965 . . . . 0.0 110.254 162.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -161.86 121.66 2.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.856 1.262 . . . . 0.0 110.626 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.01 -160.6 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.937 1.695 . . . . 0.0 110.226 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -56.33 -175.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.986 1.714 . . . . 0.0 113.905 163.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.68 -6.83 0.8 Allowed Glycine 0 N--CA 1.472 1.079 0 N-CA-C 117.22 1.648 . . . . 0.0 117.22 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -48.03 -64.04 0.9 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.977 1.889 . . . . 0.0 111.432 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 t -66.7 -37.28 84.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.041 -1.037 . . . . 0.0 112.964 -174.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.24 -56.34 13.42 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.914 1.286 . . . . 0.0 110.43 169.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.9 tptt -62.76 -42.64 99.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.348 1.459 . . . . 0.0 113.321 -177.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 59' ' ' THR . 1.1 mptt -54.38 -51.85 63.51 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.74 1.609 . . . . 0.0 111.086 170.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.01 -36.28 74.99 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.136 -1.602 . . . . 0.0 112.619 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.2 p -82.24 -26.75 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.289 0.635 . . . . 0.0 112.259 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.6 t -69.84 -33.74 72.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.689 -1.257 . . . . 0.0 112.163 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.83 -56.68 5.08 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.57 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -37.3 73.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.218 -0.42 . . . . 0.0 112.108 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.81 -18.32 12.44 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.465 -0.779 . . . . 0.0 112.872 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -121.5 -23.34 5.65 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 161.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -65.3 -50.53 65.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 122.021 2.191 . . . . 0.0 112.731 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.74 -34.1 73.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.873 1.269 . . . . 0.0 112.246 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -86.5 -58.86 2.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.547 1.939 . . . . 0.0 115.736 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.11 -42.64 3.04 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -159.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.828 2.051 . . . . 0.0 112.503 -174.426 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtm . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.431 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 18.4 ttp180 -142.77 149.1 38.26 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.21 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 91.5 mmm -120.74 10.77 11.04 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.491 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 67.4 m 48.57 -93.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.239 2.216 . . . . 0.0 114.982 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.7 90.35 2.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 121.393 1.906 . . . . 0.0 110.59 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -70.46 -31.6 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 111.051 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.97 8.47 60.39 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.107 0.86 . . . . 0.0 113.581 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.26 -63.64 0.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.953 1.701 . . . . 0.0 110.969 172.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.66 41.21 25.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.829 2.052 . . . . 0.0 114.402 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.77 107.39 19.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.225 -0.922 . . . . 0.0 113.437 -158.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.6 t 50.4 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.75 2.82 . . . . 0.0 115.153 176.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.21 -32.34 72.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.792 1.237 . . . . 0.0 112.637 165.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -102.81 9.52 38.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.188 0.995 . . . . 0.0 112.453 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.44 -9.16 39.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -45.18 -29.35 0.93 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 120.194 1.361 . . . . 0.0 114.331 -175.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.0 tptp -48.28 -68.46 0.18 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.873 1.669 . . . . 0.0 113.374 164.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.482 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.91 -36.77 78.41 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.64 2.376 . . . . 0.0 109.584 -172.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -51.84 -48.27 64.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 129.169 2.988 . . . . 0.0 111.311 167.25 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.32 -44.47 58.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 118.607 -1.237 . . . . 0.0 107.911 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -60.4 -29.24 68.84 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.917 2.087 . . . . 0.0 115.257 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.52 -27.96 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 170.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.22 -30.21 64.7 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.907 0.883 . . . . 0.0 112.742 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.33 -175.48 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.304 1.441 . . . . 0.0 113.397 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.7 -28.96 64.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -170.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.16 139.45 48.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.39 1.476 . . . . 0.0 113.027 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.73 81.93 2.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.281 1.433 . . . . 0.0 111.663 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . 0.429 ' CE2' HD21 ' B' ' 34' ' ' LEU . 38.8 t80 -73.61 -33.27 64.51 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -159.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.2 -41.95 13.48 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.201 1.401 . . . . 0.0 113.316 171.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.414 ' CG2' HG21 ' A' ' 32' ' ' ILE . 1.8 mp -62.87 -40.69 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.973 0.909 . . . . 0.0 112.162 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.47 -38.55 74.71 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.503 -0.748 . . . . 0.0 110.276 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' B' ' 30' ' ' TYR . 4.0 mt -64.54 -42.68 95.58 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 117.381 -1.295 . . . . 0.0 110.664 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.1 tp -54.88 -56.97 13.7 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.093 1.315 . . . . 0.0 111.721 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -66.97 -37.01 83.47 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.066 0.936 . . . . 0.0 112.038 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -62.56 -44.47 96.26 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.688 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.17 -53.19 40.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.752 1.621 . . . . 0.0 111.283 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.41 -40.23 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.748 -0.595 . . . . 0.0 111.559 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.19 -26.01 62.77 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 118.617 -1.233 . . . . 0.0 113.5 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.12 -32.02 73.3 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.965 -1.084 . . . . 0.0 111.511 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.88 -51.22 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.152 -1.592 . . . . 0.0 110.32 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -68.41 -40.41 81.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -167.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -127.98 -26.94 2.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.875 1.27 . . . . 0.0 113.485 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -21.76 75.07 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 112.779 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.95 45.05 15.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.321 1.848 . . . . 0.0 113.113 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.01 135.87 48.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.788 1.235 . . . . 0.0 110.368 166.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -152.08 115.07 4.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.531 1.132 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.524 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.93 163.12 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.318 1.847 . . . . 0.0 109.46 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -77.05 62.85 2.24 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.863 2.465 . . . . 0.0 114.473 -168.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 -7.71 68.25 Favored Glycine 0 N--CA 1.468 0.8 0 C-N-CA 127.318 2.389 . . . . 0.0 114.895 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 74.2 m -60.84 -61.51 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.019 1.909 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.524 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.3 t -60.98 -36.75 80.26 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.92 -1.113 . . . . 0.0 113.13 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -54.31 -56.76 15.32 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.664 1.186 . . . . 0.0 110.518 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.9 tptt -59.87 -45.05 93.69 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.447 1.499 . . . . 0.0 112.766 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.413 ' O ' HG22 ' B' ' 59' ' ' THR . 1.2 mptm? -54.03 -46.8 71.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 120.749 1.613 . . . . 0.0 111.831 172.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -70.75 -38.14 73.48 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.262 -1.524 . . . . 0.0 113.297 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.8 p -84.81 -23.8 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.413 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.6 t -70.62 -34.65 72.33 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.832 -1.167 . . . . 0.0 111.398 171.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.03 3.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.633 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -36.98 84.65 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.148 0.431 . . . . 0.0 111.877 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -56.45 -18.92 12.83 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -122.04 -27.8 4.52 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 159.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -63.17 -46.92 84.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.943 1.701 . . . . 0.0 113.007 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -72.67 -38.3 67.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.414 1.086 . . . . 0.0 112.246 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -86.9 -56.0 3.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.69 -35.4 4.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -157.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.442 1.897 . . . . 0.0 112.607 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt . . . . . 0 N--CA 1.47 0.568 0 CA-C-O 120.425 0.155 . . . . 0.0 110.785 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 18.8 ttp180 -126.45 138.46 53.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.008 0.923 . . . . 0.0 112.397 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.1 mmm -125.84 67.37 1.18 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.98 0.8 . . . . 0.0 109.868 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 34.5 m -48.82 115.07 1.13 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.963 0.887 . . . . 0.0 113.361 -171.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.293 1.7 mt 50.19 75.64 0.17 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 130.138 3.375 . . . . 0.0 113.8 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -67.51 -32.46 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.271 170.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.48 0.63 56.73 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.838 1.685 . . . . 0.0 114.791 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -135.45 -58.11 0.79 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.539 1.17 . . . . 0.0 110.174 168.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 41.65 24.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 114.589 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.15 100.99 13.71 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.115 0.966 . . . . 0.0 113.307 -161.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.317 4.5 t 52.83 -69.44 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 128.898 2.879 . . . . 0.0 115.585 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.71 -28.28 68.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.658 -1.276 . . . . 0.0 112.253 165.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -101.07 6.62 43.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.382 1.073 . . . . 0.0 111.849 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.4 -9.3 55.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -43.6 -31.26 0.72 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 120.62 1.554 . . . . 0.0 114.688 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 1.2 tptt -49.95 -66.42 0.4 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.413 1.485 . . . . 0.0 112.447 167.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -70.77 -37.05 73.33 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.539 2.336 . . . . 0.0 109.771 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.24 -51.58 66.14 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.731 1.212 . . . . 0.0 108.853 169.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' HD3' ' A' ' 5' ' ' ARG . 1.4 tm? -68.72 -45.13 72.34 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -164.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -54.51 -45.3 73.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.536 2.334 . . . . 0.0 115.247 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 pt -74.58 -26.48 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.696 1.589 . . . . 0.0 112.332 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 tp -76.82 -32.78 57.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.117 0.967 . . . . 0.0 112.633 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt . . . . . 0 CA--C 1.548 0.876 0 C-N-CA 124.846 1.259 . . . . 0.0 113.026 174.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 . . . . . 0 CA--C 1.538 0.485 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.03 27.2 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.132 0.878 . . . . 0.0 112.496 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 64' ' ' PHE . 24.2 mm -74.64 -30.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.71 -41.24 97.34 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.126 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.99 -47.35 85.5 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.264 -1.35 . . . . 0.0 111.91 169.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.475 HD22 HD22 ' B' ' 35' ' ' LEU . 4.6 tt -49.35 -54.9 14.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.941 1.246 . . . . 0.0 110.988 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.413 ' HG ' ' HE2' ' B' ' 64' ' ' PHE . 57.7 p -64.0 -38.63 91.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 119.176 0.898 . . . . 0.0 112.644 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -63.48 -42.66 98.57 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 122.649 1.214 . . . . 0.0 109.921 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.02 -53.44 20.47 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.873 2.469 . . . . 0.0 110.737 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.52 -43.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.88 -0.512 . . . . 0.0 111.0 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.94 -28.22 63.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.218 -0.993 . . . . 0.0 113.31 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.47 -31.2 71.8 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.336 0.971 . . . . 0.0 110.358 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.94 -43.84 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 120.933 -1.104 . . . . 0.0 110.342 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.09 -50.19 56.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.315 1.046 . . . . 0.0 113.822 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -120.24 -29.35 4.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.579 1.152 . . . . 0.0 113.224 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.53 -20.0 73.36 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 113.618 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.08 45.71 20.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.742 2.017 . . . . 0.0 113.827 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -58.72 149.59 25.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.186 0.994 . . . . 0.0 110.944 165.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.59 117.35 10.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.272 1.029 . . . . 0.0 111.384 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -160.74 167.25 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.659 1.984 . . . . 0.0 109.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -64.07 -170.58 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.297 1.839 . . . . 0.0 112.013 167.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.41 -6.3 0.27 Allowed Glycine 0 N--CA 1.472 1.097 0 N-CA-C 118.032 1.973 . . . . 0.0 118.032 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.9 m -46.11 -66.75 0.36 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.82 1.81 . . . . 0.0 111.72 170.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -67.19 -36.47 81.83 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.35 -0.844 . . . . 0.0 112.72 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -52.73 -53.32 49.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.816 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.2 tptt -64.74 -44.0 91.54 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 125.009 1.324 . . . . 0.0 112.301 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 59' ' ' THR . 12.0 mptt -52.62 -50.53 62.93 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.349 1.431 . . . . 0.0 110.889 168.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.09 -36.72 77.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 119.839 -1.788 . . . . 0.0 113.022 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.0 p -84.2 -27.25 7.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.528 0.731 . . . . 0.0 112.148 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.5 t -71.34 -34.26 70.35 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.739 -1.226 . . . . 0.0 112.181 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.98 -60.3 2.34 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.258 1.423 . . . . 0.0 109.793 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -36.67 74.79 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.684 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.32 -20.8 20.63 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.683 -0.675 . . . . 0.0 112.578 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -114.09 -31.87 6.21 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 167.225 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' HD11 ' A' ' 32' ' ' ILE . 52.7 t80 -65.7 -55.25 18.38 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.306 0.957 . . . . 0.0 113.46 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -68.37 -34.51 76.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.974 1.31 . . . . 0.0 112.267 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.43 -59.34 2.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 115.448 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -106.35 -47.21 3.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -161.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.533 1.933 . . . . 0.0 112.926 -171.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.469 0.477 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.556 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 36.5 ttp180 -100.92 142.47 32.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -121.22 67.05 0.87 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.571 0.7 . . . . 0.0 109.605 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 57.5 m -50.45 114.01 1.02 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.052 0.929 . . . . 0.0 112.759 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt 51.58 73.42 0.31 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.175 2.99 . . . . 0.0 113.987 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.92 -31.75 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.464 1.106 . . . . 0.0 111.467 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.79 2.4 56.23 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.952 1.739 . . . . 0.0 114.854 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.96 -55.04 0.66 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.722 1.209 . . . . 0.0 110.869 168.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.75 39.31 31.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 114.515 176.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.81 108.0 20.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -159.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.333 5.0 t 50.78 -72.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.961 2.905 . . . . 0.0 115.703 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.58 -29.89 71.08 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.662 -1.274 . . . . 0.0 112.092 166.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -99.5 5.0 46.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.847 1.659 . . . . 0.0 111.985 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.96 -8.54 45.54 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.488 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.41 -28.29 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 121.011 1.732 . . . . 0.0 114.903 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.556 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.5 OUTLIER -51.92 -67.64 0.23 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.019 1.728 . . . . 0.0 113.584 165.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.542 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -70.58 -35.28 72.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.725 2.41 . . . . 0.0 109.745 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.488 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -50.49 -49.86 54.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.029 2.932 . . . . 0.0 111.342 165.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -73.48 -40.53 64.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 117.049 -1.86 . . . . 0.0 108.813 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . 0.409 ' ND2' ' HD2' ' B' ' 19' ' ' LYS . 87.6 m-20 -63.54 -15.02 56.82 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.135 2.174 . . . . 0.0 116.242 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -101.42 -26.39 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.859 1.209 . . . . 0.0 113.183 164.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.39 -29.96 62.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.474 1.109 . . . . 0.0 113.064 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -76.45 -178.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.424 1.09 . . . . 0.0 113.683 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -62.17 -25.0 67.51 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -139.68 153.8 47.35 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.949 1.3 . . . . 0.0 112.685 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -72.16 129.51 38.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.588 0.755 . . . . 0.0 111.791 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -118.61 -145.46 0.38 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.945 1.298 . . . . 0.0 111.789 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 48.64 -44.41 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.736 3.214 . . . . 0.0 117.015 -153.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.415 ' CG2' HG21 ' A' ' 32' ' ' ILE . 1.7 mp -77.51 -30.06 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.111 1.364 . . . . 0.0 113.154 -164.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.35 -40.4 82.09 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.241 -0.912 . . . . 0.0 110.152 169.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.78 -46.77 88.12 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.618 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.475 HD22 HD22 ' A' ' 35' ' ' LEU . 4.8 tt -47.11 -55.81 7.7 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.135 1.334 . . . . 0.0 111.386 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -64.4 -40.98 96.85 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.317 0.962 . . . . 0.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.97 96.76 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.218 1.009 . . . . 0.0 111.337 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -69.35 -55.53 10.15 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 128.007 2.523 . . . . 0.0 110.641 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.53 -42.82 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 O-C-N 121.743 -0.598 . . . . 0.0 111.097 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.55 -29.62 63.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 119.255 -0.978 . . . . 0.0 113.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.87 -27.39 65.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.619 1.099 . . . . 0.0 110.848 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.63 -41.76 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 121.199 -0.938 . . . . 0.0 110.858 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -67.99 -52.08 39.92 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -120.25 -31.92 4.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.818 1.247 . . . . 0.0 112.882 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.49 -18.97 64.11 Favored Glycine 0 CA--C 1.538 1.528 0 O-C-N 121.186 -0.947 . . . . 0.0 113.336 170.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m 57.38 43.84 22.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 113.604 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -58.55 149.52 25.29 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.987 161.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -140.47 119.6 12.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.288 1.035 . . . . 0.0 111.301 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.97 168.12 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.894 2.078 . . . . 0.0 109.543 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -64.4 -171.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.229 1.812 . . . . 0.0 111.871 167.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.3 -5.91 0.23 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 118.064 1.986 . . . . 0.0 118.064 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 48.7 m -45.51 -68.51 0.19 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.803 1.802 . . . . 0.0 111.708 170.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.78 -35.17 78.2 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.156 -0.965 . . . . 0.0 112.874 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.51 -54.25 35.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.413 1.085 . . . . 0.0 110.516 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.501 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.9 tptt -63.72 -43.57 96.14 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 117.467 -1.254 . . . . 0.0 112.268 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.527 ' O ' HG22 ' B' ' 59' ' ' THR . 11.6 mptt -53.6 -49.28 68.15 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.255 1.389 . . . . 0.0 111.78 169.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.25 2.5 pp -81.38 -21.11 39.27 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.356 -2.09 . . . . 0.0 114.982 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.5 p -87.35 -25.73 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.409 0.684 . . . . 0.0 112.191 171.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 56' ' ' LYS . 3.7 t -70.27 -33.19 71.29 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.589 -1.32 . . . . 0.0 112.036 171.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.42 3.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.783 0.833 . . . . 0.0 110.628 174.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -37.54 77.35 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.713 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.34 -19.18 8.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -120.18 -25.81 5.63 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 161.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . 0.413 ' HE2' ' HG ' ' A' ' 36' ' ' SER . 51.2 t80 -63.27 -53.51 51.75 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.747 1.612 . . . . 0.0 113.264 174.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -70.69 -28.55 64.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.191 1.396 . . . . 0.0 113.19 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -91.92 -56.82 2.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.841 2.056 . . . . 0.0 115.608 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.49 -34.9 4.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -157.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 126.545 1.938 . . . . 0.0 112.697 -176.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.8 mtm . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -132.92 147.62 52.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.915 0.886 . . . . 0.0 112.919 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -122.54 12.74 10.06 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.488 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 64.4 m 47.19 -95.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.273 2.229 . . . . 0.0 114.937 -175.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -125.49 91.51 3.42 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.252 1.842 . . . . 0.0 110.14 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.59 -35.35 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.828 0.851 . . . . 0.0 110.66 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.22 -0.13 58.59 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.129 1.347 . . . . 0.0 113.7 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.86 -70.93 0.59 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.483 . . . . 0.0 108.985 171.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.77 32.08 20.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.189 1.396 . . . . 0.0 114.345 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.66 165.15 0.91 Allowed 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.966 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -38.05 -41.34 0.56 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 -34.3 57.02 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.284 -1.51 . . . . 0.0 113.545 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.2 7.98 35.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.814 2.445 . . . . 0.0 113.082 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.99 -8.97 58.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.234 1.414 . . . . 0.0 113.746 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.9 pm0 -44.57 -31.47 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.677 1.126 . . . . 0.0 113.291 -176.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.3 tptp -47.78 -67.36 0.28 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.272 1.429 . . . . 0.0 113.585 165.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.1 mm? -69.16 -37.33 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.531 2.333 . . . . 0.0 109.752 -173.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -52.59 -47.67 66.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.551 3.14 . . . . 0.0 111.085 168.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tt -74.55 -44.42 51.14 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.882 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.29 -28.39 66.73 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.242 2.217 . . . . 0.0 115.407 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.73 -31.82 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 169.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.33 -38.26 74.86 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.388 0.675 . . . . 0.0 111.812 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 pt . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.568 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.5 t80 . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -34.5 -43.92 0.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.794 2.038 . . . . 0.0 114.863 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -70.9 -32.69 49.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.67 -40.43 72.27 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.557 -0.714 . . . . 0.0 109.911 167.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.18 -47.47 82.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.531 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 60' ' ' LEU . 30.3 tp -53.89 -53.17 56.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.453 1.024 . . . . 0.0 111.646 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 t -67.23 -39.18 86.18 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.628 0.728 . . . . 0.0 111.76 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -41.08 99.06 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.535 0.683 . . . . 0.0 110.808 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.62 -55.64 12.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.226 1.81 . . . . 0.0 110.994 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.18 -43.12 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 O-C-N 121.874 -0.516 . . . . 0.0 110.858 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.57 -28.2 62.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.993 -1.083 . . . . 0.0 113.367 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.45 -24.29 64.7 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.721 1.146 . . . . 0.0 111.137 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.47 -47.42 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.85 -1.156 . . . . 0.0 110.372 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.07 -45.66 76.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -122.07 -32.13 3.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.652 1.181 . . . . 0.0 113.204 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.15 -19.56 68.26 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 121.123 -0.985 . . . . 0.0 113.308 172.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.91 45.99 17.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.667 1.987 . . . . 0.0 113.683 176.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -64.88 140.95 58.92 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.325 -0.86 . . . . 0.0 110.374 160.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -137.79 130.85 30.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.018 1.327 . . . . 0.0 110.602 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -162.68 168.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 126.761 2.024 . . . . 0.0 109.796 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.4 -169.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.795 2.038 . . . . 0.0 113.49 162.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.1 -6.47 0.37 Allowed Glycine 0 N--CA 1.474 1.214 0 N-CA-C 118.132 2.013 . . . . 0.0 118.132 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -49.2 -64.66 0.74 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.93 1.865 . . . . 0.0 111.321 170.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -67.57 -35.82 79.75 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.612 1.096 . . . . 0.0 113.191 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -51.52 -55.11 20.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.486 1.114 . . . . 0.0 110.532 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.7 tptt -62.88 -43.86 97.67 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.007 1.323 . . . . 0.0 112.868 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 59' ' ' THR . 12.7 mptt -55.39 -47.95 75.09 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.62 1.555 . . . . 0.0 111.459 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.13 -40.1 71.62 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.163 -1.586 . . . . 0.0 112.451 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.1 p -79.2 -27.43 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.689 -0.632 . . . . 0.0 111.859 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.4 t -71.8 -34.27 69.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.71 -1.243 . . . . 0.0 112.058 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 35' ' ' LEU . 1.1 mm? -46.78 -58.49 3.83 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.646 0.778 . . . . 0.0 110.358 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -37.46 76.1 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.977 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -56.47 -19.13 13.79 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 118.711 -0.662 . . . . 0.0 112.681 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -33.36 5.44 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 164.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.59 -51.61 64.57 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.146 1.339 . . . . 0.0 113.234 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -70.03 -33.88 72.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.055 1.342 . . . . 0.0 112.308 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -91.27 -58.64 2.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.385 1.874 . . . . 0.0 115.892 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -108.17 -45.47 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -158.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.076 2.15 . . . . 0.0 112.317 -173.184 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 111.261 0.097 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 6.0 ttp180 -142.33 143.77 32.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.437 1.095 . . . . 0.0 112.056 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.24 21.64 12.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.433 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.256 88.3 p 36.74 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.277 2.231 . . . . 0.0 114.925 -171.622 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.25 90.47 3.27 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 119.84 -1.788 . . . . 0.0 112.614 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mt -71.92 -31.13 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.206 1.402 . . . . 0.0 110.833 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . 0.414 ' HA2' HG21 ' B' ' 59' ' ' THR . . . 89.43 9.2 67.19 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 115.238 0.855 . . . . 0.0 115.238 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.14 -71.43 0.38 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.172 1.389 . . . . 0.0 111.901 173.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.93 44.34 13.68 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 169.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.12 137.38 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.349 2.9 t 50.01 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 130.037 3.335 . . . . 0.0 113.586 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.59 -28.87 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.161 0.984 . . . . 0.0 112.68 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -107.19 2.8 25.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.54 1.136 . . . . 0.0 112.99 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.91 -11.82 59.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -46.32 -29.29 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.446 1.475 . . . . 0.0 114.03 -175.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 3.0 tptp -48.32 -67.66 0.25 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.443 1.497 . . . . 0.0 113.864 164.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.534 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -69.98 -36.68 75.37 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 126.959 2.104 . . . . 0.0 109.636 -172.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -49.65 -49.93 45.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 129.397 3.079 . . . . 0.0 110.947 166.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.46 -47.85 53.09 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -175.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.86 -33.05 70.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.357 1.863 . . . . 0.0 114.759 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 pt -84.26 -28.98 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.994 1.27 . . . . 0.0 112.625 172.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.45 -27.67 59.0 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 pt -82.05 -176.33 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.855 1.262 . . . . 0.0 113.571 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -62.47 -27.44 69.13 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -170.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -145.39 149.58 34.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.322 0.965 . . . . 0.0 113.281 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 83.78 2.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.83 1.652 . . . . 0.0 112.034 -172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.84 -43.0 72.86 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -161.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -37.08 -42.12 0.4 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.533 1.933 . . . . 0.0 114.582 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.85 -42.25 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.381 1.072 . . . . 0.0 112.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.28 -43.51 64.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.879 0.872 . . . . 0.0 109.807 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.52 -48.12 82.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.909 174.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.88 -55.12 22.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.027 1.285 . . . . 0.0 110.907 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.03 -41.4 90.98 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.06 0.845 . . . . 0.0 111.851 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.1 t -62.24 -41.52 98.49 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.699 0.761 . . . . 0.0 110.723 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.99 -56.6 9.46 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.692 1.997 . . . . 0.0 110.903 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.57 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.82 -0.55 . . . . 0.0 111.371 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.0 -30.73 65.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.747 -1.181 . . . . 0.0 113.024 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.33 -24.37 63.91 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.614 1.097 . . . . 0.0 111.394 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.38 -47.87 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.722 -1.236 . . . . 0.0 109.919 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -72.1 -43.31 64.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -119.18 -30.91 4.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.373 1.069 . . . . 0.0 113.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.15 -15.32 72.08 Favored Glycine 0 CA--C 1.54 1.62 0 O-C-N 121.25 -0.907 . . . . 0.0 114.048 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.311 72.1 p 53.01 42.49 32.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.275 2.23 . . . . 0.0 115.336 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.94 143.17 22.32 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.701 159.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -140.9 117.79 11.1 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.383 1.073 . . . . 0.0 111.384 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -162.24 169.74 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 127.317 2.247 . . . . 0.0 109.473 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -62.11 -169.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.033 1.733 . . . . 0.0 112.003 166.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.24 0.23 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 126.363 1.935 . . . . 0.0 117.869 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -47.18 -64.64 0.73 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.763 1.782 . . . . 0.0 111.646 171.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -70.83 -33.62 70.86 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.061 -1.024 . . . . 0.0 113.458 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -52.19 -54.9 25.2 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.27 1.028 . . . . 0.0 109.926 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.529 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.6 tptt -61.03 -43.16 99.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 124.828 1.251 . . . . 0.0 112.106 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.625 ' O ' HG22 ' B' ' 59' ' ' THR . 14.0 mptt -54.6 -51.84 64.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.256 1.389 . . . . 0.0 111.945 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pp -82.06 -22.82 36.16 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 119.79 -1.818 . . . . 0.0 114.65 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.9 p -80.6 -24.68 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 118.834 0.743 . . . . 0.0 111.885 169.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.0 t -73.15 -31.01 64.0 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.596 -1.315 . . . . 0.0 112.673 171.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -48.55 -57.35 6.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.573 172.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -37.91 84.88 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 118.416 0.553 . . . . 0.0 112.14 176.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.62 -25.68 18.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.163 -0.922 . . . . 0.0 112.428 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -120.28 -19.46 7.66 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.9 -48.48 36.85 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 121.142 1.792 . . . . 0.0 112.61 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.68 -31.69 68.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.437 1.095 . . . . 0.0 112.378 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -99.27 -62.38 1.24 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -176.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -100.76 -38.11 8.42 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -158.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.561 2.344 . . . . 0.0 111.789 -177.073 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.4 ttp . . . . . 0 N--CA 1.472 0.659 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 2.8 ttp180 -119.74 150.79 39.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.64 1.176 . . . . 0.0 113.57 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.1 mmm -121.85 17.33 11.01 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.442 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 92.4 p 43.15 -95.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.302 2.641 . . . . 0.0 114.819 -176.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.49 89.77 2.83 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 120.388 1.449 . . . . 0.0 110.639 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.43 -32.7 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.059 1.344 . . . . 0.0 110.649 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.38 6.58 61.18 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.436 1.017 . . . . 0.0 113.462 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.01 -72.05 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.759 1.624 . . . . 0.0 108.147 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.91 39.0 31.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.472 1.509 . . . . 0.0 113.299 -176.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -58.84 167.46 1.56 Allowed 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 126.248 1.819 . . . . 0.0 112.363 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -38.58 -41.91 0.72 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.29 -31.67 49.06 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.345 -1.472 . . . . 0.0 113.774 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -93.4 12.04 26.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.921 2.489 . . . . 0.0 113.174 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.61 -9.4 58.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.461 1.504 . . . . 0.0 114.132 -174.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.7 pm0 -42.09 -31.6 0.38 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.917 1.687 . . . . 0.0 113.976 -176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.1 tptp -51.89 -67.93 0.21 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.275 1.83 . . . . 0.0 113.101 166.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.553 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.9 mm? -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.079 2.152 . . . . 0.0 109.782 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -56.24 -52.92 62.69 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 125.007 1.323 . . . . 0.0 108.986 168.332 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.36 -42.34 75.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -162.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.23 -37.52 69.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.027 2.931 . . . . 0.0 116.164 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 pt -77.71 -28.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 120.287 1.403 . . . . 0.0 112.123 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -76.73 -28.76 55.92 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.153 0.981 . . . . 0.0 112.683 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.5 pt . . . . . 0 CA--C 1.55 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 111.872 173.56 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.2 t80 . . . . . 0 CA--C 1.543 0.684 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -33.67 41.0 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.471 -1.393 . . . . 0.0 113.213 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.056 0.943 . . . . 0.0 111.715 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.13 -46.35 79.23 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.403 -0.811 . . . . 0.0 110.248 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.63 -47.59 85.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.217 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.68 -55.58 15.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.947 1.703 . . . . 0.0 111.919 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -67.58 -39.85 84.85 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.443 1.02 . . . . 0.0 111.963 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -60.57 -43.27 97.48 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.84 0.828 . . . . 0.0 110.911 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.52 -57.18 7.85 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.09 2.156 . . . . 0.0 110.575 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.91 -41.06 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 122.063 -0.398 . . . . 0.0 111.646 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.65 -27.58 63.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 118.908 -1.117 . . . . 0.0 113.389 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -65.84 -26.72 67.79 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.719 1.145 . . . . 0.0 112.16 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.44 -52.67 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 120.474 -1.391 . . . . 0.0 110.208 167.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.98 -42.21 81.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -166.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -121.25 -29.61 4.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 113.221 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.32 73.03 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 119.508 1.049 . . . . 0.0 113.602 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.295 69.7 p 52.74 45.29 28.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.966 2.106 . . . . 0.0 114.414 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -53.77 141.13 27.76 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 110.719 162.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -146.38 116.51 7.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.034 1.334 . . . . 0.0 110.358 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.76 171.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.0 2.12 . . . . 0.0 108.942 -174.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -62.08 -171.31 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.514 1.526 . . . . 0.0 111.692 164.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.75 -5.43 0.15 Allowed Glycine 0 N--CA 1.473 1.147 0 N-CA-C 118.256 2.062 . . . . 0.0 118.256 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -47.24 -67.29 0.29 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.324 2.062 . . . . 0.0 111.688 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -65.66 -35.84 81.93 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.898 -1.126 . . . . 0.0 112.952 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -53.21 -56.84 13.31 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 125.061 1.344 . . . . 0.0 110.282 170.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HA ' HG12 ' A' ' 58' ' ' VAL . 23.5 tptt -62.29 -43.92 97.7 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.626 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.625 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -50.42 -55.96 13.53 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.734 1.606 . . . . 0.0 111.363 170.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.4 -24.34 39.76 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 119.92 -1.737 . . . . 0.0 114.627 -171.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.5 p -79.98 -26.45 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.531 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.7 t -69.89 -34.35 73.43 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.753 -1.217 . . . . 0.0 111.321 172.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.26 -54.52 13.35 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.503 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -36.22 73.96 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.41 -21.22 14.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.428 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.93 -37.95 4.35 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 169.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -62.31 -49.08 77.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.01 -34.08 66.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.878 1.271 . . . . 0.0 112.563 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -92.23 -58.02 2.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.436 1.894 . . . . 0.0 116.071 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -105.34 -43.96 4.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -159.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.683 1.193 . . . . 0.0 113.243 -170.363 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 13.3 ttp180 -67.1 146.71 54.01 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.94 0.896 . . . . 0.0 113.155 -165.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.5 mmt -122.99 70.67 1.02 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.541 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 48.0 m -48.44 119.33 2.96 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.201 -175.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.439 0.0 OUTLIER 32.94 72.61 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 129.693 3.197 . . . . 0.0 117.083 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' B' ' 9' ' ' ILE . 1.4 mt -62.25 -34.37 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 126.365 1.866 . . . . 0.0 111.381 170.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -1.89 55.89 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.501 1.048 . . . . 0.0 114.925 -168.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -129.76 -67.77 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.795 1.297 . . . . 0.0 110.171 170.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.05 36.84 9.34 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.962 1.705 . . . . 0.0 113.761 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -64.58 172.74 2.49 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 112.399 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -39.41 -43.44 1.22 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 -171.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.18 -34.1 49.79 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.28 -1.512 . . . . 0.0 113.735 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.02 11.59 20.17 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.28 2.232 . . . . 0.0 112.962 174.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.67 -12.26 61.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.418 1.487 . . . . 0.0 114.183 -174.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.45 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.4 pm0 -44.02 -27.95 0.42 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.367 1.467 . . . . 0.0 114.613 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.8 tptp -50.48 -69.78 0.1 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.113 1.365 . . . . 0.0 112.711 163.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.673 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.6 mm? -68.12 -37.16 80.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.321 1.848 . . . . 0.0 110.294 -174.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -56.18 -51.6 67.42 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.85 1.26 . . . . 0.0 108.209 170.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 52.8 tp -71.77 -40.83 69.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 116.316 -2.154 . . . . 0.0 106.539 -164.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -54.18 -40.17 67.3 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.237 2.215 . . . . 0.0 115.137 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.4 pt -78.72 -26.58 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 121.025 1.738 . . . . 0.0 112.874 173.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -75.34 -33.77 61.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.593 1.157 . . . . 0.0 112.409 -175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.37 -170.92 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.051 1.341 . . . . 0.0 113.446 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -45.8 -44.82 14.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.521 2.328 . . . . 0.0 114.851 -171.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -155.31 158.92 39.51 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.184 1.393 . . . . 0.0 111.609 173.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.37 143.05 35.95 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.956 1.303 . . . . 0.0 112.073 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -137.41 -29.93 0.86 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -164.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.99 45.57 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.223 1.374 . . . . 0.0 112.984 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.08 -38.78 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.477 1.511 . . . . 0.0 112.264 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -60.03 -41.86 93.16 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 121.177 -0.952 . . . . 0.0 110.574 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.7 -39.86 95.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.244 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -56.1 -56.79 16.57 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 120.705 1.593 . . . . 0.0 111.8 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -64.98 -38.98 92.76 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 119.099 0.863 . . . . 0.0 111.528 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -61.0 -45.63 94.04 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.481 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.08 -53.01 35.0 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.053 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.18 -41.21 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.807 -0.558 . . . . 0.0 111.714 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.2 -27.12 64.25 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 118.674 -1.21 . . . . 0.0 113.321 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.1 -28.83 69.71 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.01 -1.057 . . . . 0.0 112.501 171.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.94 -52.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 120.025 -1.672 . . . . 0.0 109.641 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.24 -41.32 85.83 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -165.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -123.66 -31.69 3.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.7 1.2 . . . . 0.0 113.324 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.7 -19.08 74.6 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 119.624 1.102 . . . . 0.0 113.258 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m 56.81 55.81 5.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.806 2.042 . . . . 0.0 113.376 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -48.54 135.87 13.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.956 0.902 . . . . 0.0 109.519 158.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -139.81 86.52 2.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.847 1.259 . . . . 0.0 110.566 -169.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.94 167.68 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.873 1.669 . . . . 0.0 110.783 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.18 -167.9 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.322 2.249 . . . . 0.0 113.237 163.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.98 -7.21 0.29 Allowed Glycine 0 N--CA 1.473 1.158 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 83.2 m -47.94 -65.12 0.62 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 120.202 2.001 . . . . 0.0 111.949 171.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -67.76 -34.63 77.18 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.03 -1.043 . . . . 0.0 113.144 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -53.69 -55.82 22.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.608 1.163 . . . . 0.0 109.87 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.524 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.3 tptt -60.67 -44.95 95.86 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 124.912 1.285 . . . . 0.0 111.897 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.615 ' O ' HG22 ' B' ' 59' ' ' THR . 13.7 mptt -53.34 -52.4 59.33 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.157 1.344 . . . . 0.0 111.445 174.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.63 -27.55 40.94 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.963 -1.711 . . . . 0.0 114.48 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.6 p -77.28 -24.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.539 -0.726 . . . . 0.0 111.369 173.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.615 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.3 t -73.91 -34.36 64.35 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.719 -1.238 . . . . 0.0 112.418 172.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.52 -53.68 17.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.752 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -36.78 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.875 0.761 . . . . 0.0 112.666 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.02 -24.16 9.06 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.615 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -118.58 -25.79 6.35 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -67.26 -46.1 74.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.51 1.959 . . . . 0.0 112.695 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -73.49 -34.18 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.131 1.372 . . . . 0.0 112.331 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -94.25 -61.21 1.56 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -106.17 -41.22 5.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -157.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.512 1.525 . . . . 0.0 113.238 -171.744 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.471 0.609 0 N-CA-C 111.095 0.035 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 5.8 ttp180 -137.65 143.08 41.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mmm -123.13 21.75 9.63 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 84.5 p 38.44 -89.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.654 2.782 . . . . 0.0 116.476 -173.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 92.38 3.35 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.818 1.645 . . . . 0.0 110.148 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.87 -35.57 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 0.0 111.141 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 1.75 55.86 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 125.263 1.411 . . . . 0.0 114.413 -175.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -137.51 -59.23 0.68 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.483 1.142 . . . . 0.0 110.028 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.81 42.4 23.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.413 1.485 . . . . 0.0 114.522 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -95.07 102.95 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.086 0.955 . . . . 0.0 113.506 -163.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.32 3.7 t 53.03 -69.15 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 129.204 3.001 . . . . 0.0 115.411 174.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.43 -24.2 64.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.58 1.152 . . . . 0.0 112.595 167.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -103.87 3.71 34.07 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.313 1.445 . . . . 0.0 112.347 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.77 -11.18 60.06 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.11 -30.58 0.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 120.261 1.391 . . . . 0.0 114.289 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.3 tptp -49.6 -68.37 0.18 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.499 1.52 . . . . 0.0 113.401 166.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.557 ' H ' HD22 ' A' ' 20' ' ' LEU . 1.9 mm? -68.18 -37.26 80.75 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 127.279 2.232 . . . . 0.0 109.561 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -50.91 -49.31 59.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 129.323 3.049 . . . . 0.0 111.075 167.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tt -72.0 -48.37 45.26 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -55.55 -38.94 69.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.305 1.842 . . . . 0.0 114.422 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.26 -28.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.113 1.324 . . . . 0.0 112.562 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.99 -27.58 57.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 pt . . . . . 0 CA--C 1.548 0.874 0 C-N-CA 124.848 1.259 . . . . 0.0 113.233 173.521 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.682 ' CE2' HD11 ' A' ' 34' ' ' LEU . 27.9 t80 . . . . . 0 CA--C 1.537 0.444 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -38.15 -41.19 0.57 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.472 2.309 . . . . 0.0 115.833 -176.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.15 -28.73 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 111.929 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.2 -43.36 99.0 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.549 -1.344 . . . . 0.0 110.313 171.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.682 HD11 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mp -57.6 -50.34 73.45 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.146 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -46.18 -53.96 9.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.891 1.276 . . . . 0.0 111.638 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -67.71 -40.75 84.25 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 119.725 1.148 . . . . 0.0 112.656 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -39.12 81.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.571 1.176 . . . . 0.0 110.788 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -76.16 -51.06 12.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.02 2.128 . . . . 0.0 111.248 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 57' ' ' LEU . 2.2 pp -56.46 -41.61 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.269 0.941 . . . . 0.0 110.665 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -73.72 -27.66 61.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.225 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -65.59 -24.99 67.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.875 1.216 . . . . 0.0 111.475 172.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.18 -48.89 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.539 172.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -66.07 -45.92 79.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -123.62 -29.29 3.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.773 1.229 . . . . 0.0 113.101 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.92 -17.22 71.31 Favored Glycine 0 CA--C 1.54 1.652 0 O-C-N 121.177 -0.952 . . . . 0.0 113.606 168.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.315 75.6 p 54.88 41.13 32.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.14 2.176 . . . . 0.0 115.132 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.05 140.18 56.06 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.63 -0.669 . . . . 0.0 110.254 159.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -139.5 125.49 19.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 -174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.96 169.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.425 2.29 . . . . 0.0 109.303 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.11 -159.83 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.422 1.489 . . . . 0.0 112.269 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.77 -6.67 1.83 Allowed Glycine 0 N--CA 1.469 0.887 0 N-CA-C 117.424 1.73 . . . . 0.0 117.424 -171.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -49.49 -60.45 2.84 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.652 1.726 . . . . 0.0 111.11 170.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -69.56 -37.11 76.89 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.732 1.151 . . . . 0.0 113.154 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -49.89 -54.83 17.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.91 0.884 . . . . 0.0 110.244 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 58' ' ' VAL . 24.0 tptt -61.29 -44.38 97.31 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.449 1.5 . . . . 0.0 112.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.514 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -51.81 -53.65 37.71 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.931 1.696 . . . . 0.0 111.525 171.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.427 HD12 HG23 ' A' ' 39' ' ' ILE . 3.3 mm? -79.5 -23.77 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 119.84 -1.787 . . . . 0.0 113.609 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -84.57 -25.6 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 119.277 0.944 . . . . 0.0 112.802 170.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.0 t -70.95 -34.36 71.38 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.225 -1.547 . . . . 0.0 111.638 172.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.79 -57.02 4.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.387 1.075 . . . . 0.0 110.4 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CD2' ' HG3' ' A' ' 65' ' ' ARG 0.283 0.0 OUTLIER -76.06 -29.12 57.89 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.992 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.92 -23.27 52.69 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.673 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.494 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -108.0 -41.22 5.01 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 115.437 1.644 . . . . 0.0 115.437 169.095 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.0 -49.67 76.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 33.8 mmm-85 -68.71 -39.46 80.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 111.868 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -97.26 -57.1 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.104 2.161 . . . . 0.0 115.599 -168.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.93 -45.21 5.77 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 124.931 1.292 . . . . 0.0 113.229 -171.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 CA--C 1.541 0.601 0 CA-C-O 120.374 0.131 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 31.1 ttp180 -124.03 145.96 48.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 111.265 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 15.1 mmt -123.44 74.32 1.24 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.614 0.721 . . . . 0.0 109.298 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.554 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 14.0 m -47.61 118.79 2.4 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.067 -175.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.46 0.0 OUTLIER 32.47 72.11 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 129.844 3.258 . . . . 0.0 117.656 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . 0.421 ' H ' HG13 ' B' ' 9' ' ' ILE . 1.3 mt -61.98 -32.55 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.899 2.079 . . . . 0.0 112.816 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.7 4.76 51.93 Favored Glycine 0 CA--C 1.545 1.946 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -168.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.19 -70.38 0.3 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.833 1.317 . . . . 0.0 112.496 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.21 43.75 10.62 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -123.77 135.19 53.67 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.35 3.2 t 49.15 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.859 3.263 . . . . 0.0 113.725 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -64.02 -30.33 71.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.365 1.066 . . . . 0.0 112.577 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -105.3 2.51 28.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.844 1.258 . . . . 0.0 112.977 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -64.22 -14.14 53.6 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.474 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.4 -28.59 0.9 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.711 1.596 . . . . 0.0 114.662 -174.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.1 tptp -51.73 -64.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.315 1.446 . . . . 0.0 113.401 166.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.587 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.8 mm? -69.78 -34.84 74.31 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.844 2.058 . . . . 0.0 110.177 -174.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.474 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -56.57 -45.32 81.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.31 3.044 . . . . 0.0 111.107 169.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.425 HD12 ' HD3' ' B' ' 5' ' ' ARG . 2.5 tm? -73.14 -44.49 60.07 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.321 -1.352 . . . . 0.0 107.836 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -59.86 -26.51 65.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.121 1.768 . . . . 0.0 115.215 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 pt -88.3 -28.77 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.732 1.151 . . . . 0.0 112.961 168.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.7 tp -69.25 -28.84 66.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.254 1.022 . . . . 0.0 112.465 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -86.13 -144.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.98 1.712 . . . . 0.0 112.149 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.67 18.58 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 128.51 2.724 . . . . 0.0 115.636 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.7 m80 68.35 152.81 0.09 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 129.259 3.024 . . . . 0.0 116.881 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . 0.273 12.5 pt-20 50.1 21.07 0.69 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 163.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.92 -31.85 71.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.396 -1.44 . . . . 0.0 114.754 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.51 -35.04 12.33 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 174.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.39 -32.22 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.795 0.838 . . . . 0.0 111.792 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.23 -43.86 92.33 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 120.899 -1.126 . . . . 0.0 110.433 173.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.03 -51.72 68.49 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 116.695 -1.621 . . . . 0.0 110.481 168.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.45 -53.74 10.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.489 1.495 . . . . 0.0 111.911 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.2 m -63.92 -50.04 70.25 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.163 0.892 . . . . 0.0 110.966 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -60.6 -34.17 73.83 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 121.106 -0.996 . . . . 0.0 111.093 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.54 -51.53 16.66 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 127.258 2.223 . . . . 0.0 111.814 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.64 -38.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 119.252 0.933 . . . . 0.0 111.268 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -73.15 -27.69 61.81 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.52 -33.4 73.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.154 1.343 . . . . 0.0 111.399 170.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.37 -51.9 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.487 -1.383 . . . . 0.0 109.986 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -167.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -118.3 -28.14 5.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.813 1.245 . . . . 0.0 113.098 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -16.13 75.12 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 119.773 1.169 . . . . 0.0 113.131 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.276 72.4 p 52.87 57.57 6.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.089 2.156 . . . . 0.0 113.795 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -49.22 142.99 6.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.548 1.139 . . . . 0.0 111.502 166.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -141.68 84.41 1.9 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.439 1.496 . . . . 0.0 110.551 -172.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.3 167.5 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.491 1.916 . . . . 0.0 109.935 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.54 -169.97 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.121 1.769 . . . . 0.0 112.037 167.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.7 -7.2 0.25 Allowed Glycine 0 N--CA 1.471 1.02 0 C-N-CA 126.364 1.935 . . . . 0.0 117.885 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 96.1 m -47.87 -64.04 0.9 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.285 2.043 . . . . 0.0 111.458 170.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -68.39 -32.51 72.63 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.819 -1.176 . . . . 0.0 113.048 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -56.93 -53.29 59.66 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.491 1.117 . . . . 0.0 110.598 170.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.0 tptt -61.97 -42.31 98.98 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 125.309 1.444 . . . . 0.0 112.388 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -59.11 -44.23 91.97 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.685 1.584 . . . . 0.0 111.412 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.35 -41.57 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.313 -1.492 . . . . 0.0 112.874 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.1 p -82.75 -26.53 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.634 0.774 . . . . 0.0 112.082 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.2 t -71.19 -35.01 71.43 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.007 -1.058 . . . . 0.0 112.326 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.69 -56.72 9.11 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.77 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.76 78.66 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 119.196 -0.431 . . . . 0.0 112.061 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.22 -24.37 18.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.453 0.701 . . . . 0.0 112.451 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 170.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.72 -48.85 70.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -73.45 -34.56 65.47 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.057 1.343 . . . . 0.0 112.224 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.61 -62.4 1.44 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.99 -40.39 8.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -160.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.289 1.435 . . . . 0.0 113.448 -173.153 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ptt? . . . . . 0 CA--C 1.541 0.608 0 CA-C-O 120.54 0.209 . . . . 0.0 111.356 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.611 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 47.7 ttp180 -139.27 143.77 38.08 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.655 1.582 . . . . 0.0 110.466 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -124.49 67.66 1.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.57 0.7 . . . . 0.0 110.562 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 72.9 m -73.66 106.31 5.36 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.743 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.85 143.35 50.88 Favored 'General case' 0 CA--C 1.534 0.329 1 C-N-CA 135.653 5.581 . . . . 0.0 106.507 -4.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.39 -35.68 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.747 -0.596 . . . . 0.0 112.083 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 1.94 59.73 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 124.819 1.2 . . . . 0.0 114.195 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -135.11 -60.27 0.77 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.688 1.244 . . . . 0.0 109.836 168.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.68 41.29 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.364 1.466 . . . . 0.0 114.597 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.54 99.86 12.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -161.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.33 6.0 t 53.29 -69.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 129.043 2.937 . . . . 0.0 115.897 171.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.37 -26.99 68.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.227 1.376 . . . . 0.0 112.172 163.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -100.0 5.17 45.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.738 1.615 . . . . 0.0 112.342 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.03 -9.58 47.0 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -45.51 -29.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 120.621 1.555 . . . . 0.0 114.263 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.6 tptt -47.99 -71.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.44 1.896 . . . . 0.0 113.149 164.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -68.05 -34.21 76.02 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.7 2.4 . . . . 0.0 110.052 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -55.04 -48.66 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 129.426 3.09 . . . . 0.0 111.099 168.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.87 -39.82 66.14 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 116.542 -2.063 . . . . 0.0 107.772 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.35 -25.24 67.95 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -88.65 -27.16 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.131 1.332 . . . . 0.0 112.765 167.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.1 -29.92 64.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.209 1.004 . . . . 0.0 112.706 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 pt . . . . . 0 N--CA 1.477 0.915 0 C-N-CA 124.95 1.3 . . . . 0.0 113.835 175.713 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.0 t80 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 116.316 1.969 . . . . 0.0 116.316 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.0 53.36 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.143 1.338 . . . . 0.0 112.989 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.409 HG21 HG21 ' B' ' 32' ' ' ILE . 7.6 mm -72.05 -33.02 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.277 -0.889 . . . . 0.0 113.343 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.1 -44.17 78.8 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.064 0.393 . . . . 0.0 110.747 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.98 -45.98 91.25 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.965 171.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.2 -54.66 32.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.583 1.992 . . . . 0.0 110.576 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -66.58 -38.62 87.45 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 118.787 0.721 . . . . 0.0 112.359 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -61.6 -43.4 98.92 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.381 1.086 . . . . 0.0 110.918 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.07 -54.9 14.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.513 2.325 . . . . 0.0 110.741 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.04 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.7 -28.0 63.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 119.112 -1.035 . . . . 0.0 113.617 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.6 -27.75 67.18 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.438 1.017 . . . . 0.0 110.931 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.57 -44.1 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.602 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.55 -49.01 65.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.689 1.196 . . . . 0.0 113.606 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -122.41 -31.83 3.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 113.233 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -18.01 62.67 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 170.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.8 m 56.56 47.11 19.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.708 2.003 . . . . 0.0 112.946 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.64 157.85 8.69 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.508 1.123 . . . . 0.0 113.35 170.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.19 110.08 5.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.042 0.937 . . . . 0.0 111.817 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.78 165.08 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.416 1.887 . . . . 0.0 110.141 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.62 -171.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.448 2.299 . . . . 0.0 113.807 164.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.72 -6.48 0.51 Allowed Glycine 0 N--CA 1.474 1.182 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -48.38 -62.19 1.62 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.006 1.903 . . . . 0.0 111.642 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -69.11 -36.22 77.3 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.454 1.024 . . . . 0.0 113.173 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -51.83 -54.46 28.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.211 1.004 . . . . 0.0 110.571 170.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -63.28 -44.02 96.25 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.331 1.452 . . . . 0.0 112.564 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' HG22 ' A' ' 59' ' ' THR . 12.7 mptt -53.41 -48.41 68.72 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.469 1.486 . . . . 0.0 111.289 169.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.21 -37.7 72.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.913 -1.742 . . . . 0.0 112.803 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.4 p -81.5 -27.38 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.232 0.613 . . . . 0.0 112.266 178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.4 t -71.83 -33.26 68.35 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.616 -1.303 . . . . 0.0 112.338 173.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.59 -57.22 5.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 0.0 109.64 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -37.45 77.36 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.28 -21.13 13.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.534 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.61 -35.13 5.31 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 168.062 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -63.58 -51.32 65.86 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.441 1.019 . . . . 0.0 113.478 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -71.22 -34.2 70.61 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.565 1.146 . . . . 0.0 112.517 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -87.62 -58.67 2.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.458 1.903 . . . . 0.0 115.7 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -107.53 -48.44 3.43 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -160.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.561 1.945 . . . . 0.0 112.533 -171.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 10.1 ttp180 -128.05 141.99 51.35 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.246 1.018 . . . . 0.0 112.646 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 68.6 mmm -124.75 66.05 1.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.445 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 30.1 m -51.17 114.75 1.28 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.973 0.892 . . . . 0.0 112.318 -172.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.446 ' O ' ' HE2' ' B' ' 56' ' ' LYS 0.303 3.3 mt 52.92 71.16 0.51 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 129.128 2.971 . . . . 0.0 114.267 177.311 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.62 -36.08 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 110.907 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.69 2.86 32.52 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 125.113 1.339 . . . . 0.0 115.452 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -140.97 -45.09 0.39 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.496 1.648 . . . . 0.0 112.154 166.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 45.75 51.35 10.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.2 2.2 . . . . 0.0 115.361 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -111.18 113.53 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -159.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.5 t 51.56 -72.09 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 129.238 3.015 . . . . 0.0 114.542 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.47 -29.12 69.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.803 1.241 . . . . 0.0 112.683 168.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -105.35 7.6 33.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.914 1.286 . . . . 0.0 112.582 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.8 -10.16 59.36 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.6 pm0 -43.74 -31.55 0.83 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.473 1.509 . . . . 0.0 114.248 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.53 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 1.2 tptt -49.76 -67.08 0.29 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.797 1.639 . . . . 0.0 112.921 166.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.511 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -70.71 -36.56 73.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 127.275 2.23 . . . . 0.0 109.941 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.415 ' O ' HD12 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -54.7 -52.96 60.78 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.834 1.254 . . . . 0.0 108.239 168.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.69 -46.27 69.48 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 -162.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -53.05 -43.66 66.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.891 2.476 . . . . 0.0 115.682 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -76.4 -26.86 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.935 1.698 . . . . 0.0 112.256 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.05 -30.51 44.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.885 0.874 . . . . 0.0 113.0 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 pt -79.3 -169.25 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.842 1.257 . . . . 0.0 113.441 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -52.71 -37.81 59.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.26 2.224 . . . . 0.0 114.915 -172.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.99 150.38 29.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.514 1.126 . . . . 0.0 112.987 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.03 80.3 0.93 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.314 1.846 . . . . 0.0 112.041 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -71.94 -27.76 63.01 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -160.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.62 48.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 120.214 1.37 . . . . 0.0 113.211 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 32' ' ' ILE . 2.0 mp -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 124.053 0.941 . . . . 0.0 111.99 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.16 -43.65 87.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.35 -0.844 . . . . 0.0 110.09 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.81 -51.04 71.7 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.04 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -49.03 -53.53 19.73 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 121.027 1.74 . . . . 0.0 112.047 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.4 t -68.6 -41.91 78.89 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.407 0.622 . . . . 0.0 111.703 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -40.68 94.04 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.057 0.932 . . . . 0.0 111.551 177.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.54 -55.38 7.94 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.931 2.492 . . . . 0.0 110.76 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.18 -41.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.623 -0.673 . . . . 0.0 111.31 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.09 -28.58 63.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.522 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.73 -24.96 64.52 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.77 1.168 . . . . 0.0 110.918 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.66 -44.31 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 120.767 -1.208 . . . . 0.0 110.548 172.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.78 -49.39 66.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.3 t -120.21 -30.64 4.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.708 1.203 . . . . 0.0 112.939 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -18.42 70.95 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 113.633 169.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.7 p 53.16 42.3 32.15 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.275 2.23 . . . . 0.0 115.125 177.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -57.81 146.03 33.0 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.748 162.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -141.94 127.03 18.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.089 0.956 . . . . 0.0 112.161 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -163.43 169.73 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 127.537 2.335 . . . . 0.0 108.99 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.23 -171.01 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.513 1.925 . . . . 0.0 113.65 162.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.09 -6.65 0.39 Allowed Glycine 0 N--CA 1.476 1.304 0 N-CA-C 117.798 1.879 . . . . 0.0 117.798 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.9 m -49.53 -64.7 0.73 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.762 1.781 . . . . 0.0 110.435 169.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -65.56 -41.24 93.19 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.234 1.379 . . . . 0.0 112.381 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -46.68 -54.88 8.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.451 1.101 . . . . 0.0 111.068 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.464 ' HA ' HG12 ' B' ' 58' ' ' VAL . 18.4 tptt -61.3 -42.06 98.03 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 116.84 -1.552 . . . . 0.0 112.894 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.463 ' O ' HG22 ' B' ' 59' ' ' THR . 1.1 mptm? -54.15 -52.46 61.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 121.129 1.786 . . . . 0.0 111.957 169.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.58 -35.91 75.8 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 119.913 -1.742 . . . . 0.0 112.222 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.8 p -82.67 -26.43 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 56' ' ' LYS . 4.2 t -68.93 -33.26 73.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.494 -1.379 . . . . 0.0 111.771 171.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.45 -54.75 13.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.359 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -38.8 85.23 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.521 0.601 . . . . 0.0 111.892 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -56.65 -19.67 17.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.552 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -113.92 -29.38 7.06 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -72.67 -45.31 59.56 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.598 1.999 . . . . 0.0 113.247 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -71.63 -32.7 68.25 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.909 1.283 . . . . 0.0 112.126 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.53 -62.94 1.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.898 2.185 . . . . 0.0 116.898 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -95.14 -42.42 8.59 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -160.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.669 2.388 . . . . 0.0 111.667 -175.556 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 tpp . . . . . 0 N--CA 1.468 0.465 0 CA-C-O 121.095 0.474 . . . . 0.0 111.338 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 10.4 ttp85 -68.09 149.72 49.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.353 1.461 . . . . 0.0 112.175 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.78 13.45 11.53 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.5 m 48.37 -96.0 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.796 2.038 . . . . 0.0 115.159 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -131.21 95.92 3.9 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 121.169 1.804 . . . . 0.0 110.463 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.99 -39.06 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.26 1.024 . . . . 0.0 110.778 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.31 33.04 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 125.818 1.675 . . . . 0.0 114.986 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.28 -59.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.11 1.364 . . . . 0.0 110.576 166.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.55 35.54 21.14 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.406 1.482 . . . . 0.0 114.063 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -57.08 164.46 1.65 Allowed 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.405 1.482 . . . . 0.0 111.479 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -33.74 -43.44 0.13 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 -175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.1 -29.85 49.22 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.108 -1.62 . . . . 0.0 113.883 175.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -94.24 6.15 49.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.861 2.865 . . . . 0.0 112.809 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.27 -10.36 59.68 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.333 1.453 . . . . 0.0 114.069 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.8 pm0 -44.69 -28.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.999 1.32 . . . . 0.0 114.125 -174.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 tptp -49.19 -70.58 0.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.143 1.777 . . . . 0.0 113.427 163.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -66.68 -37.28 84.42 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.644 2.378 . . . . 0.0 109.754 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -53.03 -47.76 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 129.78 3.232 . . . . 0.0 111.424 168.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.3 -41.81 56.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.981 -1.488 . . . . 0.0 107.89 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -58.16 -34.46 70.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.356 1.862 . . . . 0.0 114.679 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -84.17 -28.13 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.175 0.898 . . . . 0.0 113.316 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -71.78 -33.2 68.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.207 1.003 . . . . 0.0 112.562 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.4 pt . . . . . 0 N--CA 1.476 0.858 0 C-N-CA 124.658 1.183 . . . . 0.0 113.649 176.787 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.408 ' CE2' HD21 ' A' ' 34' ' ' LEU . 37.3 t80 . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.78 -43.68 1.47 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.506 1.522 . . . . 0.0 113.714 167.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.62 -39.42 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 123.681 0.792 . . . . 0.0 111.915 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.66 -40.95 76.4 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.276 172.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 30' ' ' TYR . 8.6 mt -59.03 -54.23 49.45 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.667 171.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 tp -49.06 -55.51 11.88 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.318 1.047 . . . . 0.0 111.583 -176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -66.48 -43.16 86.19 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.815 0.817 . . . . 0.0 112.107 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 t -60.16 -41.53 93.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.75 0.786 . . . . 0.0 110.594 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 57' ' ' LEU . 32.0 mm-40 -74.4 -49.83 20.97 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 125.771 1.628 . . . . 0.0 111.378 -171.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 57' ' ' LEU . 1.9 pp -57.59 -42.27 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.543 -0.723 . . . . 0.0 110.843 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.64 -27.1 62.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.273 -1.371 . . . . 0.0 113.31 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -69.82 -23.24 63.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.864 -1.147 . . . . 0.0 111.589 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.09 -46.85 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 120.303 -1.498 . . . . 0.0 110.35 171.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.51 -49.72 67.93 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.333 1.053 . . . . 0.0 113.502 -173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -115.51 -32.64 5.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.516 1.126 . . . . 0.0 112.771 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.9 -15.15 73.76 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 114.487 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 78.2 p 53.21 38.28 27.19 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.004 2.122 . . . . 0.0 115.163 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -75.38 0.06 18.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -49.28 131.36 20.02 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 127.881 2.473 . . . . 0.0 113.884 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 m -130.17 -158.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.478 1.911 . . . . 0.0 111.305 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -57.82 -176.66 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.583 1.953 . . . . 0.0 113.805 164.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.55 -10.76 1.55 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -46.72 -61.84 1.66 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.723 1.762 . . . . 0.0 110.983 166.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -70.41 -36.59 74.12 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.989 -1.069 . . . . 0.0 112.822 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -50.4 -54.69 20.01 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.039 0.936 . . . . 0.0 110.245 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -61.98 -44.53 96.54 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 125.235 1.414 . . . . 0.0 112.808 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.542 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -52.6 -52.19 56.38 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.78 1.627 . . . . 0.0 111.766 171.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 39' ' ' ILE . 2.9 mm? -81.28 -22.43 38.64 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.914 -1.741 . . . . 0.0 114.047 -173.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.8 p -83.18 -27.51 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 119.22 0.918 . . . . 0.0 111.877 169.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.1 t -72.01 -30.35 65.13 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.405 -1.434 . . . . 0.0 112.194 173.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.91 -56.94 4.8 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.951 0.501 . . . . 0.0 110.611 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -36.04 71.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.997 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.63 -24.39 21.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.44 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 -40.44 5.3 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 171.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.96 -52.57 55.53 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.05 -34.82 73.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 111.752 -174.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.46 -62.99 1.35 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.207 1.803 . . . . 0.0 115.76 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -103.84 -39.56 6.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -158.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.502 1.921 . . . . 0.0 112.484 -177.706 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.7 ptt? . . . . . 0 N--CA 1.473 0.72 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 30.1 ttp180 -147.23 157.37 43.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.362 1.065 . . . . 0.0 112.52 178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 20.1 mmt -127.07 84.13 2.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.971 0.908 . . . . 0.0 110.472 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -34.12 -39.01 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 -177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 140.82 15.4 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 122.142 2.246 . . . . 0.0 113.706 141.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -103.13 -43.04 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.251 1.42 . . . . 0.0 112.294 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.66 4.28 36.97 Favored Glycine 0 CA--C 1.545 1.966 0 C-N-CA 124.16 0.886 . . . . 0.0 114.751 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.09 -64.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.663 1.232 . . . . 0.0 111.272 169.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.94 33.19 14.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 114.307 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.45 168.97 3.21 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.447 1.499 . . . . 0.0 111.588 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -37.11 -43.06 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -173.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.52 -31.95 53.78 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.274 -1.517 . . . . 0.0 114.008 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -93.17 6.99 46.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.364 . . . . 0.0 113.287 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.38 -10.09 52.71 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.724 1.61 . . . . 0.0 114.388 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.446 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -46.31 -27.98 1.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -175.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.3 OUTLIER -48.28 -69.1 0.13 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.564 1.945 . . . . 0.0 114.167 162.156 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.473 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -69.36 -36.19 76.6 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 127.688 2.395 . . . . 0.0 109.809 -173.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -50.24 -50.43 49.92 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.076 2.95 . . . . 0.0 111.372 167.184 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -73.85 -41.96 61.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 117.339 -1.744 . . . . 0.0 108.451 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.16 -23.08 67.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.322 1.849 . . . . 0.0 114.966 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.3 pt -92.13 -27.8 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 119.216 0.916 . . . . 0.0 113.238 167.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.47 -38.12 83.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.799 0.84 . . . . 0.0 111.481 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.2 -178.01 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.748 1.219 . . . . 0.0 113.862 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -63.27 -32.94 74.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 143.84 44.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.406 1.482 . . . . 0.0 113.419 -175.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -69.96 80.79 0.48 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.664 1.986 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.8 -27.38 61.1 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -158.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.76 50.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.461 1.028 . . . . 0.0 113.131 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.49 -39.33 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.985 1.314 . . . . 0.0 112.2 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -60.6 -41.5 94.87 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 121.344 -0.848 . . . . 0.0 110.846 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.75 -36.88 85.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.08 -1.438 . . . . 0.0 111.836 171.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.68 -56.19 25.15 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 120.643 1.565 . . . . 0.0 111.044 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -63.62 -37.21 86.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.67 1.123 . . . . 0.0 112.027 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -62.66 -45.79 91.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.672 0.748 . . . . 0.0 110.442 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.75 -50.63 48.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.892 1.677 . . . . 0.0 111.657 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -56.96 -41.8 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.473 -0.767 . . . . 0.0 111.308 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.16 -26.13 62.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.421 -1.312 . . . . 0.0 113.676 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.38 -31.49 71.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.372 0.987 . . . . 0.0 111.898 170.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.406 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.9 mp -80.55 -54.02 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.629 -1.294 . . . . 0.0 110.631 169.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.89 -39.42 94.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.747 1.219 . . . . 0.0 113.495 -166.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.9 t -126.87 -30.56 2.73 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.636 1.174 . . . . 0.0 113.624 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 -19.44 74.85 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.418 1.008 . . . . 0.0 113.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.267 73.6 p 49.48 49.09 20.45 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.502 1.921 . . . . 0.0 113.376 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -33.88 -61.16 0.36 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.962 2.505 . . . . 0.0 114.478 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 53.56 78.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.668 2.787 . . . . 0.0 113.318 168.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . 0.463 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -140.09 158.67 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.337 1.855 . . . . 0.0 110.513 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -74.96 64.17 1.29 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.103 2.561 . . . . 0.0 115.299 -165.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.39 -10.99 64.68 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.798 2.618 . . . . 0.0 115.038 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -59.6 -60.79 3.28 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.609 1.705 . . . . 0.0 109.963 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . 0.463 ' H ' HG13 ' B' ' 49' ' ' VAL . 4.7 t -66.64 -32.9 74.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -55.81 -54.27 46.57 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.666 1.186 . . . . 0.0 110.239 170.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.476 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.6 tptt -60.99 -42.08 97.72 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.375 1.47 . . . . 0.0 112.44 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -58.43 -43.35 88.68 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 120.638 1.563 . . . . 0.0 112.125 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.68 -43.89 71.59 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.076 -1.64 . . . . 0.0 112.712 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.5 p -79.19 -26.51 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 122.771 0.429 . . . . 0.0 111.742 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -69.96 -37.76 75.91 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.729 -1.232 . . . . 0.0 111.758 172.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.84 -57.53 5.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.439 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.76 99.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.247 0.619 . . . . 0.0 112.509 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.35 -24.55 60.14 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.607 1.163 . . . . 0.0 112.573 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -115.97 -21.92 9.27 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -58.8 -53.76 54.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.614 1.552 . . . . 0.0 111.99 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -81.07 -39.8 25.16 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.529 1.157 . . . . 0.0 112.777 -171.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -74.42 -60.85 2.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.499 -2.137 . . . . 0.0 115.529 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -108.8 -44.96 3.91 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -158.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.945 2.098 . . . . 0.0 112.032 -174.239 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.7 mtm . . . . . 0 N--CA 1.471 0.593 0 CA-C-O 120.558 0.218 . . . . 0.0 111.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 19.1 ttp180 -140.67 139.7 34.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.447 1.099 . . . . 0.0 111.118 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.4 mmt -126.48 71.75 1.3 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.98 0.895 . . . . 0.0 108.827 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 27.9 m -54.93 114.68 1.83 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.091 -172.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.294 4.1 mt 54.52 69.15 0.75 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.289 3.036 . . . . 0.0 114.722 175.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.98 -29.25 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.424 1.489 . . . . 0.0 111.28 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.61 7.78 61.41 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 125.199 1.381 . . . . 0.0 114.206 -171.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -138.15 -64.22 0.54 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.572 1.549 . . . . 0.0 110.887 166.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.17 35.08 18.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.461 1.504 . . . . 0.0 114.158 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -60.8 168.03 2.5 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.681 1.592 . . . . 0.0 111.99 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -38.68 -41.49 0.71 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -172.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.31 -33.27 49.4 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.32 -1.487 . . . . 0.0 113.596 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.71 9.51 29.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.955 2.502 . . . . 0.0 113.04 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -73.23 -9.93 59.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.422 1.489 . . . . 0.0 114.631 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.71 -31.29 0.45 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.885 1.674 . . . . 0.0 114.11 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tptt -48.12 -70.53 0.09 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.458 1.903 . . . . 0.0 113.074 164.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -69.1 -35.14 76.13 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 127.373 2.269 . . . . 0.0 109.782 -173.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.54 -52.57 63.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.034 1.334 . . . . 0.0 108.524 169.085 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.67 -41.72 75.12 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 116.483 -2.087 . . . . 0.0 106.244 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -57.92 -36.64 72.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.274 2.23 . . . . 0.0 115.471 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.4 pt -80.32 -26.33 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.718 1.599 . . . . 0.0 112.656 171.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.32 -31.5 60.63 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.412 1.085 . . . . 0.0 112.498 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.7 pt . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 125.258 1.423 . . . . 0.0 113.397 174.958 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 . . . . . 0 CA--C 1.538 0.509 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.71 -37.3 63.15 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.599 -1.313 . . . . 0.0 112.573 174.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 HG21 ' B' ' 32' ' ' ILE . 2.0 mp -69.82 -38.03 74.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 O-C-N 121.371 -0.831 . . . . 0.0 111.931 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -55.22 -43.52 74.59 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.145 -0.972 . . . . 0.0 110.394 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -54.95 40.53 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 116.295 -1.812 . . . . 0.0 110.558 170.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 tp -46.25 -52.95 11.56 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.611 1.55 . . . . 0.0 111.67 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -68.95 -44.22 73.42 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.715 0.769 . . . . 0.0 112.442 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 t -58.27 -41.76 85.03 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.483 1.135 . . . . 0.0 111.146 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HB3' HD11 ' A' ' 57' ' ' LEU . 15.7 mm-40 -75.15 -51.86 12.38 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.658 1.983 . . . . 0.0 110.186 -170.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.488 HG23 HD12 ' A' ' 57' ' ' LEU . 2.0 pp -57.87 -42.34 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.324 -0.86 . . . . 0.0 111.395 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.45 -27.06 63.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.973 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.45 -25.63 65.09 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.728 1.149 . . . . 0.0 111.726 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.89 -48.71 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.658 -1.276 . . . . 0.0 110.026 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.54 -45.63 65.13 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -116.08 -31.68 5.62 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.402 1.081 . . . . 0.0 112.986 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.68 -16.34 71.94 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 113.452 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m 59.37 37.09 23.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.522 1.929 . . . . 0.0 113.929 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -66.88 138.22 57.15 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.097 -1.002 . . . . 0.0 110.191 161.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -164.16 130.55 3.08 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.76 1.224 . . . . 0.0 109.95 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.6 m -136.71 -157.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.551 1.54 . . . . 0.0 109.853 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -49.91 178.72 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.044 1.338 . . . . 0.0 114.213 156.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.31 -6.55 0.99 Allowed Glycine 0 N--CA 1.474 1.2 0 O-C-N 120.17 -1.581 . . . . 0.0 116.888 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 m -48.35 -61.69 1.87 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.52 2.16 . . . . 0.0 111.597 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -66.72 -39.47 88.01 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.47 1.032 . . . . 0.0 112.738 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -51.4 -55.12 20.34 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.657 1.183 . . . . 0.0 110.802 170.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.497 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -61.66 -44.08 97.65 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 125.435 1.494 . . . . 0.0 112.386 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER -51.21 -52.29 45.86 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.781 1.628 . . . . 0.0 112.374 169.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 39' ' ' ILE . 3.2 mm? -80.33 -26.39 38.79 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 119.79 -1.819 . . . . 0.0 113.989 -173.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -80.01 -26.98 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.938 0.79 . . . . 0.0 111.915 171.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.7 t -72.83 -32.62 65.61 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.301 -1.5 . . . . 0.0 112.604 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.78 -58.7 3.28 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.529 0.732 . . . . 0.0 109.095 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -38.47 81.5 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.009 176.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.51 -18.78 12.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -120.88 -21.67 6.5 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 160.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.25 -50.75 51.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 121.686 2.039 . . . . 0.0 112.879 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -67.23 -32.79 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.907 1.283 . . . . 0.0 112.103 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -90.62 -60.16 1.99 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.539 1.936 . . . . 0.0 115.905 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -113.74 -41.49 3.58 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -159.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.142 2.177 . . . . 0.0 112.114 -176.294 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 CA--C 1.542 0.643 0 N-CA-C 111.641 0.237 . . . . 0.0 111.641 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -126.55 151.88 47.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.734 2.014 . . . . 0.0 110.824 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.2 mmt -121.32 10.1 10.51 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.509 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 55.4 m 50.23 -90.4 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.012 2.125 . . . . 0.0 115.095 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.31 94.24 3.63 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 121.032 1.742 . . . . 0.0 110.283 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mt -76.66 -41.76 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.729 0.812 . . . . 0.0 110.124 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.51 -0.15 29.31 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.478 1.513 . . . . 0.0 113.973 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -133.0 -75.8 0.49 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.172 1.389 . . . . 0.0 109.58 171.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 37.33 26.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.22 166.33 19.68 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.011 -1.056 . . . . 0.0 112.709 168.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -18.32 -53.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 119.576 3.176 . . . . 0.0 119.576 -161.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -76.24 -26.91 56.5 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 120.926 1.694 . . . . 0.0 113.555 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -103.23 -5.11 23.46 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.957 2.903 . . . . 0.0 112.394 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.88 -10.93 4.5 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -44.15 -30.57 0.79 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.906 1.684 . . . . 0.0 114.415 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -48.59 -67.38 0.27 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.011 1.724 . . . . 0.0 112.746 164.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.485 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -70.01 -36.79 75.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.345 2.258 . . . . 0.0 109.78 -173.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -50.59 68.13 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.036 1.334 . . . . 0.0 108.288 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.408 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.5 tm? -69.97 -44.79 68.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -165.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -56.54 -37.96 71.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.246 2.619 . . . . 0.0 115.581 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.83 -27.64 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.591 1.087 . . . . 0.0 112.416 172.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -78.31 -30.01 48.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.198 0.999 . . . . 0.0 112.905 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.2 pt -79.3 -173.7 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.39 1.476 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -61.84 -28.52 69.55 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -172.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -145.79 144.93 30.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.993 0.917 . . . . 0.0 113.014 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.28 82.44 0.75 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.5 1.92 . . . . 0.0 111.867 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . 0.74 ' CE2' HD11 ' B' ' 34' ' ' LEU . 31.3 t80 -72.15 -42.1 66.35 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -158.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.634 ' HA ' HD13 ' B' ' 34' ' ' LEU . . . -40.96 -39.79 1.25 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.339 1.856 . . . . 0.0 116.003 -173.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.408 HG21 HG21 ' A' ' 32' ' ' ILE . 1.9 mp -66.5 -35.73 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.523 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -57.88 -41.35 82.34 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.262 -0.899 . . . . 0.0 110.77 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.74 HD11 ' CE2' ' B' ' 30' ' ' TYR . 4.4 mp -64.21 -43.13 95.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.407 171.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.75 -56.83 13.98 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.379 1.445 . . . . 0.0 110.638 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -64.4 -37.74 88.58 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 118.555 0.616 . . . . 0.0 111.846 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.8 t -60.9 -45.74 93.42 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.368 1.08 . . . . 0.0 111.116 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.38 -54.56 23.01 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.702 2.001 . . . . 0.0 111.008 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -42.21 79.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.58 -25.43 60.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -65.61 -30.27 70.96 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.379 0.99 . . . . 0.0 110.534 172.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.29 -44.85 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.297 -0.877 . . . . 0.0 110.879 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.734 1.213 . . . . 0.0 113.614 -174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.2 t -124.04 -28.0 3.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.54 1.136 . . . . 0.0 113.523 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -12.36 59.03 Favored Glycine 0 CA--C 1.541 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 114.06 166.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.285 46.5 p 51.53 45.05 28.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.231 2.212 . . . . 0.0 114.354 173.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 155.78 5.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.425 1.09 . . . . 0.0 113.635 169.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -140.79 110.09 6.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.329 1.052 . . . . 0.0 110.762 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -161.67 164.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.107 1.763 . . . . 0.0 110.398 173.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.76 -168.7 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.51 1.924 . . . . 0.0 112.227 167.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.94 -7.24 0.16 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 126.791 2.139 . . . . 0.0 118.177 -176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -47.06 -65.41 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.633 1.717 . . . . 0.0 111.524 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t -69.33 -35.83 76.31 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.155 -0.965 . . . . 0.0 113.109 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -49.98 -55.14 15.81 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.3 1.04 . . . . 0.0 109.92 170.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.49 ' HA ' HG12 ' B' ' 58' ' ' VAL . 19.9 tptt -62.81 -46.73 86.6 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 117.178 -1.392 . . . . 0.0 112.564 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.552 ' O ' HG22 ' B' ' 59' ' ' THR . 12.9 mptt -52.53 -49.89 63.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.764 1.62 . . . . 0.0 111.932 173.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.34 -24.05 32.25 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 119.967 -1.708 . . . . 0.0 114.798 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.6 p -81.67 -26.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.457 -0.777 . . . . 0.0 111.671 170.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.1 t -70.1 -36.34 74.79 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.699 -1.25 . . . . 0.0 111.019 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.68 -57.8 3.95 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.852 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -44.0 97.39 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.114 0.965 . . . . 0.0 112.708 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.74 -19.79 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.952 1.301 . . . . 0.0 112.701 -174.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.95 -32.19 4.85 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 168.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -52.77 -56.49 15.28 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.697 1.135 . . . . 0.0 112.125 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -83.3 -40.89 18.92 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.79 1.281 . . . . 0.0 113.12 -166.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.45 -55.32 12.24 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 112.242 -2.254 . . . . 0.0 114.969 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.16 -47.64 3.18 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -160.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.818 2.047 . . . . 0.0 112.712 -172.577 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 tpt . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.601 0.223 . . . . 0.0 111.601 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.489 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 17.9 ttp180 -128.87 151.72 49.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.27 1.828 . . . . 0.0 111.283 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.82 8.89 10.58 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.539 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.275 70.4 m 49.13 -83.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.525 2.33 . . . . 0.0 115.963 -176.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.61 91.18 2.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 122.058 2.208 . . . . 0.0 113.325 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.36 -30.04 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.091 1.756 . . . . 0.0 111.11 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 0.59 73.45 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 115.301 0.88 . . . . 0.0 115.301 -172.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.44 -58.54 0.83 Allowed 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.04 1.42 . . . . 0.0 110.438 170.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.87 42.04 27.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.551 1.54 . . . . 0.0 113.955 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.85 98.38 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 125.466 1.507 . . . . 0.0 113.489 -159.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.307 3.7 t 52.68 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 128.565 2.746 . . . . 0.0 115.204 173.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.68 -27.87 68.67 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.54 -1.35 . . . . 0.0 112.746 165.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -100.8 8.35 43.26 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.358 1.063 . . . . 0.0 112.079 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -67.49 -10.35 50.82 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.738 1.215 . . . . 0.0 114.143 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.55 -28.52 0.59 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.8 tptp -50.87 -67.36 0.26 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.459 1.503 . . . . 0.0 113.217 165.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.06 -36.84 78.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.879 2.472 . . . . 0.0 109.584 -173.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -52.37 -46.49 66.21 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 129.274 3.029 . . . . 0.0 111.567 166.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.8 -42.97 63.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.606 1.194 . . . . 0.0 108.524 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -64.32 -15.36 60.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.048 2.139 . . . . 0.0 115.701 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -99.65 -26.62 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.402 1.001 . . . . 0.0 113.52 164.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 tp -71.41 -31.61 67.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.978 1.311 . . . . 0.0 112.767 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 124.545 1.138 . . . . 0.0 113.352 175.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 t80 . . . . . 0 CA--C 1.552 1.024 0 CA-C-O 118.121 -0.943 . . . . 0.0 112.659 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 51.11 -40.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.225 3.01 . . . . 0.0 117.176 -154.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mm -71.85 -28.39 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -170.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.33 -39.72 80.2 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.435 -0.791 . . . . 0.0 109.903 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.95 -47.77 76.46 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.799 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -55.13 23.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.586 1.155 . . . . 0.0 111.522 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -65.33 -41.16 94.23 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.785 0.802 . . . . 0.0 112.358 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t -61.68 -43.74 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.38 0.61 . . . . 0.0 110.602 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.84 -55.94 16.47 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.021 1.728 . . . . 0.0 110.87 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.41 -43.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.063 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.53 -27.77 62.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.87 -24.75 64.38 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.527 1.058 . . . . 0.0 110.744 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.44 -47.9 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.049 -1.032 . . . . 0.0 110.479 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.19 -47.0 81.48 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -172.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 t -122.17 -31.97 3.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.858 1.263 . . . . 0.0 113.296 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.18 68.67 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 121.004 -1.06 . . . . 0.0 113.802 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m 57.15 43.32 24.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 0.0 114.002 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 150.13 33.43 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.349 -0.844 . . . . 0.0 110.81 160.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -146.39 127.4 14.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.417 1.087 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.5 168.44 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.752 2.021 . . . . 0.0 109.622 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -63.53 -168.7 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.993 1.717 . . . . 0.0 111.791 165.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.5 0.2 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 118.32 2.088 . . . . 0.0 118.32 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -48.06 -63.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 120.034 1.917 . . . . 0.0 111.776 171.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -69.26 -35.6 76.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.887 -1.133 . . . . 0.0 113.404 -175.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -50.75 -55.89 14.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.156 0.982 . . . . 0.0 109.841 169.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HA ' HG12 ' A' ' 58' ' ' VAL . 25.7 tptt -61.53 -45.93 92.1 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 125.043 1.337 . . . . 0.0 112.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.55 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -53.84 -51.52 63.32 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.263 1.392 . . . . 0.0 111.333 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.91 -27.53 39.93 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.725 -1.859 . . . . 0.0 114.135 -173.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.8 p -76.18 -28.34 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.548 -0.72 . . . . 0.0 111.686 172.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.6 t -72.31 -33.94 67.75 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.538 -1.351 . . . . 0.0 112.33 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.5 -55.35 16.4 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.179 0.592 . . . . 0.0 110.108 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -36.19 75.84 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.31 -21.67 15.77 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.518 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.439 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -110.19 -39.94 4.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 168.067 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.73 -47.02 85.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -76.41 -35.52 58.53 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.923 1.289 . . . . 0.0 112.635 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -89.7 -57.6 2.81 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.57 -46.01 4.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.927 1.291 . . . . 0.0 113.326 -170.463 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.472 0.655 0 CA-C-O 120.515 0.198 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 29.1 ttp-105 -81.89 150.19 27.88 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.156 1.382 . . . . 0.0 112.72 -172.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.7 mmt -126.81 78.32 1.79 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.344 0.592 . . . . 0.0 110.6 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.465 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 57.9 m -51.41 113.76 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.742 0.782 . . . . 0.0 112.112 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.269 2.0 mt 49.91 72.29 0.33 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 129.841 3.257 . . . . 0.0 115.456 174.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -65.69 -32.24 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.799 1.24 . . . . 0.0 111.261 168.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.41 57.37 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.923 1.249 . . . . 0.0 114.159 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -138.49 -63.36 0.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.572 1.549 . . . . 0.0 110.462 169.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.0 39.5 7.8 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.351 1.86 . . . . 0.0 113.887 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -61.81 169.09 2.68 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.541 1.536 . . . . 0.0 111.7 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -36.88 -44.86 0.52 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.55 -34.05 58.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.287 -1.508 . . . . 0.0 113.41 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -91.47 10.37 28.0 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.609 2.364 . . . . 0.0 112.481 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.14 -8.63 54.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.78 1.632 . . . . 0.0 113.75 -177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -45.37 -29.03 0.96 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.977 1.262 . . . . 0.0 114.027 -176.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 6.7 tptp -48.34 -69.9 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.034 1.733 . . . . 0.0 113.341 163.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.99 -35.22 76.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 127.388 2.275 . . . . 0.0 110.108 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -54.0 -46.76 71.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.335 3.054 . . . . 0.0 111.143 168.416 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.84 -45.05 60.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 118.349 -1.34 . . . . 0.0 107.823 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -59.86 -31.09 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.333 1.853 . . . . 0.0 114.658 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.19 -28.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 171.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.68 -37.15 79.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.056 0.942 . . . . 0.0 111.692 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.7 pt -78.15 -177.79 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.633 1.173 . . . . 0.0 114.028 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -64.22 -26.45 68.51 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -141.54 140.71 33.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.942 1.297 . . . . 0.0 112.161 -177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.44 74.03 1.02 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.374 1.87 . . . . 0.0 112.151 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . 0.478 ' CZ ' HD21 ' B' ' 34' ' ' LEU . 21.3 t80 -63.34 -36.47 83.8 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -160.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.65 -44.12 8.78 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.16 1.384 . . . . 0.0 113.824 172.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.01 -39.71 86.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.54 0.736 . . . . 0.0 111.672 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -57.12 -40.45 77.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.523 -0.735 . . . . 0.0 110.614 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.478 HD21 ' CZ ' ' B' ' 30' ' ' TYR . 7.5 mt -62.32 -46.65 87.76 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 117.37 -1.3 . . . . 0.0 110.383 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.03 -54.95 27.75 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.195 1.361 . . . . 0.0 111.694 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t -68.29 -38.81 82.03 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.968 0.89 . . . . 0.0 111.495 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.25 -42.33 98.44 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.859 0.837 . . . . 0.0 110.964 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.88 -55.29 13.44 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.922 2.089 . . . . 0.0 110.695 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.92 -40.83 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 121.894 -0.504 . . . . 0.0 111.438 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.05 -26.71 62.3 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 118.805 -1.158 . . . . 0.0 113.568 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.63 -33.58 75.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.568 1.076 . . . . 0.0 111.507 171.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.32 -49.89 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 120.383 -1.448 . . . . 0.0 110.279 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.25 -43.5 81.73 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -126.62 -25.54 3.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 113.586 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.77 74.29 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 119.598 1.09 . . . . 0.0 112.99 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 58.03 45.82 17.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.469 1.908 . . . . 0.0 113.123 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -58.98 143.95 46.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.297 1.039 . . . . 0.0 110.598 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -147.06 118.98 8.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.528 1.131 . . . . 0.0 111.417 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -165.4 172.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.442 2.297 . . . . 0.0 108.823 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.02 -169.8 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.245 1.818 . . . . 0.0 113.196 161.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.59 -6.41 0.47 Allowed Glycine 0 N--CA 1.473 1.152 0 N-CA-C 117.56 1.784 . . . . 0.0 117.56 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -47.71 -64.02 0.9 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.298 2.049 . . . . 0.0 111.704 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -65.99 -37.1 85.08 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.742 -1.224 . . . . 0.0 113.197 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -52.26 -56.32 15.54 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.7 tptt -61.83 -44.85 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.506 1.522 . . . . 0.0 112.736 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.431 ' O ' HG22 ' B' ' 59' ' ' THR . 1.3 mptm? -54.17 -46.66 72.38 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.926 1.694 . . . . 0.0 112.313 172.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.265 1.2 pp -83.42 -24.6 31.84 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.067 -1.645 . . . . 0.0 114.94 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.6 p -84.03 -27.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.501 -0.75 . . . . 0.0 112.1 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.431 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.2 t -68.3 -36.27 79.07 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.546 -1.346 . . . . 0.0 110.813 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -60.72 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.451 172.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.56 99.02 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.299 1.039 . . . . 0.0 112.004 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.16 -22.14 64.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.998 1.319 . . . . 0.0 113.316 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -111.19 -31.16 7.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 160.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.883 1.674 . . . . 0.0 112.281 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -39.67 16.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.787 1.28 . . . . 0.0 113.204 -170.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -69.48 -56.14 8.24 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.172 -2.285 . . . . 0.0 115.391 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -114.03 -48.61 2.89 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -157.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.257 9.5 p30 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.462 1.505 . . . . 0.0 114.027 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.55 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 32.8 ttp180 -136.35 144.43 44.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.317 1.047 . . . . 0.0 111.671 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.4 mmt -125.89 68.1 1.18 Allowed 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.756 0.66 . . . . 0.0 110.196 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 104.11 5.42 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.501 -0.762 . . . . 0.0 109.386 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -131.45 143.56 50.52 Favored 'General case' 0 CA--C 1.534 0.345 1 C-N-CA 135.378 5.471 . . . . 0.0 106.631 -3.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.76 -32.38 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.857 -0.527 . . . . 0.0 111.907 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.08 10.89 57.0 Favored Glycine 0 CA--C 1.546 1.986 0 C-N-CA 124.539 1.066 . . . . 0.0 114.131 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.81 -70.38 0.35 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.866 1.666 . . . . 0.0 111.108 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.16 55.87 7.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.54 2.336 . . . . 0.0 115.253 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' HB3' ' HE ' ' A' ' 63' ' ' ARG . 21.1 p90 -128.77 159.61 35.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 15' ' ' GLU 0.312 8.9 t 21.96 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 128.742 2.817 . . . . 0.0 117.185 -157.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.537 ' H ' HG23 ' A' ' 14' ' ' THR . 45.3 mt-10 -68.7 -17.78 64.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.247 1.419 . . . . 0.0 113.095 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -112.17 1.21 16.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.353 2.261 . . . . 0.0 112.031 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.85 -15.45 61.87 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -43.91 -28.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.662 1.585 . . . . 0.0 114.408 -176.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.5 tptt -47.7 -71.8 0.06 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.417 1.487 . . . . 0.0 111.933 164.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.656 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.6 mm? -69.29 -36.0 76.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.859 1.663 . . . . 0.0 110.42 -174.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -51.05 68.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.52 -43.36 69.79 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 116.262 -2.175 . . . . 0.0 105.743 -165.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -54.65 -44.2 73.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.332 2.253 . . . . 0.0 115.597 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -76.2 -25.78 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.934 1.697 . . . . 0.0 112.079 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.69 -30.32 41.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.685 0.794 . . . . 0.0 112.744 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 pt . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 124.823 1.249 . . . . 0.0 112.856 171.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.8 t80 . . . . . 0 CA--C 1.538 0.515 0 N-CA-C 116.765 2.135 . . . . 0.0 116.765 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.74 -40.43 54.59 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.106 1.321 . . . . 0.0 112.722 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 HG21 ' B' ' 32' ' ' ILE . 3.6 mm -67.9 -30.54 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.77 -43.9 90.51 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.462 -0.774 . . . . 0.0 110.797 171.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.21 -39.67 95.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.832 172.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -52.54 64.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.696 1.589 . . . . 0.0 111.043 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 t -67.31 -37.1 82.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 122.074 0.94 . . . . 0.0 112.216 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -62.91 -44.47 96.01 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 121.713 0.768 . . . . 0.0 110.811 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.49 -52.05 50.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.592 1.957 . . . . 0.0 110.725 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.464 HG21 HG21 ' B' ' 39' ' ' ILE . 2.2 pp -59.85 -40.69 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 121.85 -0.532 . . . . 0.0 111.437 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.69 -25.45 62.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.364 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -61.8 -32.1 72.37 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.738 1.154 . . . . 0.0 112.146 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 42' ' ' ILE . 2.6 mp -77.32 -53.42 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 121.221 -0.925 . . . . 0.0 110.616 170.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -41.22 86.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -166.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.2 t -126.21 -28.91 3.07 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.605 1.162 . . . . 0.0 113.54 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.94 -15.7 69.62 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-N 119.417 1.008 . . . . 0.0 113.592 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.3 p 50.07 55.3 9.65 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.274 1.829 . . . . 0.0 112.189 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -32.44 -56.87 0.34 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 128.196 2.598 . . . . 0.0 116.246 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 52.22 68.15 0.86 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.185 2.194 . . . . 0.0 112.928 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 162.72 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.649 1.98 . . . . 0.0 109.818 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -64.3 -172.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 112.093 170.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.01 -6.39 0.13 Allowed Glycine 0 N--CA 1.473 1.105 0 N-CA-C 118.596 2.199 . . . . 0.0 118.596 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.6 m -45.4 -67.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.703 1.752 . . . . 0.0 111.872 168.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -70.72 -32.12 69.22 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.319 -0.863 . . . . 0.0 112.548 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -53.95 -55.41 27.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.417 1.087 . . . . 0.0 110.507 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.2 tptt -62.89 -44.49 95.97 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.207 1.403 . . . . 0.0 111.96 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 59' ' ' THR . 12.8 mptt -53.12 -48.38 67.91 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.91 1.232 . . . . 0.0 111.399 170.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.3 -40.19 74.41 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 119.801 -1.812 . . . . 0.0 112.976 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.6 p -80.46 -26.84 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 122.891 0.477 . . . . 0.0 111.964 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.9 t -70.99 -33.24 70.23 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.693 -1.254 . . . . 0.0 112.117 172.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 56' ' ' LYS . 1.4 mm? -50.4 -55.22 16.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.583 0.753 . . . . 0.0 109.98 176.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.1 84.71 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.257 -0.402 . . . . 0.0 112.041 174.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.38 -19.96 17.15 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.491 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' A' ' 13' ' ' PHE . 71.5 mmt-85 -119.41 -23.34 6.7 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 165.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -68.85 -49.42 58.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.81 2.095 . . . . 0.0 112.85 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -69.82 -33.86 72.89 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.041 1.336 . . . . 0.0 112.171 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -93.55 -62.15 1.42 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -107.16 -41.66 5.08 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -156.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.367 2.267 . . . . 0.0 111.968 -176.266 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt . . . . . 0 CA--C 1.537 0.456 0 CA-C-O 121.006 0.431 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.591 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 40.7 ttp180 -55.58 145.25 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.757 1.623 . . . . 0.0 112.821 -174.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 18.7 mmt -123.37 74.93 1.28 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-O 121.714 0.768 . . . . 0.0 110.547 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 65.9 m -79.38 102.9 8.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.47 140.15 46.01 Favored 'General case' 0 CA--C 1.536 0.423 1 C-N-CA 136.194 5.798 . . . . 0.0 106.558 -0.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -89.12 -32.89 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.601 0.637 . . . . 0.0 112.37 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 8.84 58.82 Favored Glycine 0 CA--C 1.543 1.788 0 C-N-CA 123.981 0.8 . . . . 0.0 114.071 -171.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -139.82 -65.54 0.47 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.669 1.588 . . . . 0.0 109.861 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 39.64 19.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.176 1.791 . . . . 0.0 113.487 -177.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -61.52 169.08 2.48 Favored 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 125.606 1.562 . . . . 0.0 112.263 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -39.02 -43.14 0.96 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -77.82 -31.28 51.58 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.273 -1.517 . . . . 0.0 113.696 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -93.55 10.33 33.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.722 2.409 . . . . 0.0 112.738 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.17 -11.17 60.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.073 1.349 . . . . 0.0 113.947 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -44.6 -27.82 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.819 1.247 . . . . 0.0 114.26 -176.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.591 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 2.5 tptt -47.91 -69.42 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.868 1.667 . . . . 0.0 113.049 163.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.495 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.06 -34.16 75.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.805 2.442 . . . . 0.0 109.947 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -62.2 -43.18 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 128.472 2.709 . . . . 0.0 110.982 173.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.56 -41.1 61.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.909 -1.516 . . . . 0.0 107.389 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -59.59 -33.45 71.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.344 1.458 . . . . 0.0 114.817 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 pt -82.29 -28.2 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.791 1.632 . . . . 0.0 112.871 169.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -73.06 -31.12 64.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.6 pt -80.81 -172.09 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.676 1.19 . . . . 0.0 113.909 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -47.44 -43.72 24.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.737 2.415 . . . . 0.0 114.79 -172.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -152.52 160.51 43.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.081 1.353 . . . . 0.0 111.747 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.37 139.62 57.57 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.562 1.145 . . . . 0.0 111.798 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -131.16 -31.3 1.68 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -162.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.52 39.24 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.25 1.387 . . . . 0.0 112.705 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.451 HG21 HG21 ' A' ' 32' ' ' ILE . 1.8 mp -60.36 -39.07 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.94 1.296 . . . . 0.0 112.007 178.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -60.0 -42.68 94.81 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.444 -0.785 . . . . 0.0 110.52 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.75 -43.97 97.28 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.235 171.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -55.9 -53.9 51.23 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.347 1.43 . . . . 0.0 111.703 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -67.53 -38.52 84.34 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.835 0.826 . . . . 0.0 111.639 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.0 -44.03 98.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.841 0.829 . . . . 0.0 110.584 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.75 -51.41 34.32 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.632 1.573 . . . . 0.0 111.715 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 39' ' ' ILE . 2.2 pp -59.13 -40.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.494 -0.754 . . . . 0.0 111.324 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.63 -26.82 62.72 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.844 -1.142 . . . . 0.0 113.344 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -66.35 -24.33 66.49 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.09 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.21 -52.48 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 120.77 -1.206 . . . . 0.0 110.701 167.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.3 -40.49 90.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -122.7 -30.16 3.91 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.649 1.179 . . . . 0.0 113.488 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.24 -25.99 74.99 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 119.812 1.187 . . . . 0.0 113.127 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.262 81.1 p 57.85 38.17 27.1 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.677 2.391 . . . . 0.0 112.542 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -49.17 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.95 1.3 . . . . 0.0 112.711 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 25.14 65.54 0.05 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.827 2.851 . . . . 0.0 116.251 165.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.17 -161.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.266 1.027 . . . . 0.0 111.654 173.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.95 173.76 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.542 1.537 . . . . 0.0 114.48 159.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.5 -7.98 0.73 Allowed Glycine 0 N--CA 1.476 1.315 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -46.63 -63.08 1.1 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.471 1.635 . . . . 0.0 110.94 167.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -72.42 -31.48 65.54 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.031 -1.043 . . . . 0.0 113.028 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -55.17 -54.7 39.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.294 1.038 . . . . 0.0 110.175 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.516 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.5 tptt -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.214 1.406 . . . . 0.0 112.551 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' HG22 ' B' ' 59' ' ' THR . 1.6 mptm? -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.387 1.449 . . . . 0.0 111.149 169.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -70.75 -35.54 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 120.135 -1.603 . . . . 0.0 113.22 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.5 p -82.86 -26.83 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.223 0.609 . . . . 0.0 112.092 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.8 t -70.02 -34.46 73.31 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.774 -1.204 . . . . 0.0 112.061 173.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.73 -58.04 4.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.673 0.789 . . . . 0.0 109.652 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -37.05 78.79 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -55.34 -19.5 9.0 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.529 0.732 . . . . 0.0 112.873 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -114.91 -40.2 3.56 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -58.77 -49.29 78.22 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.88 -35.96 62.29 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.898 1.279 . . . . 0.0 112.36 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -84.69 -60.25 2.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.57 -49.32 3.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -163.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.897 1.679 . . . . 0.0 112.737 -168.714 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.3 mtp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 22.8 ttp180 -128.38 150.85 49.93 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.531 1.932 . . . . 0.0 110.675 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -119.82 10.16 11.53 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.507 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 67.5 m 50.93 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.214 2.206 . . . . 0.0 114.71 -176.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.79 99.71 4.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.188 2.267 . . . . 0.0 111.426 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.6 -35.18 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.178 1.391 . . . . 0.0 111.428 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.429 ' HA2' HG21 ' A' ' 59' ' ' THR . . . 102.11 3.28 51.47 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 125.148 1.356 . . . . 0.0 115.493 -177.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.81 -43.26 0.35 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 118.983 1.391 . . . . 0.0 112.482 166.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.77 47.14 15.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.722 2.409 . . . . 0.0 116.053 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.43 108.45 19.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -157.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.322 3.2 t 52.39 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 129.242 3.017 . . . . 0.0 114.744 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.89 -28.23 68.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.501 1.12 . . . . 0.0 112.537 167.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -104.41 9.17 35.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.471 1.108 . . . . 0.0 112.753 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -71.27 -11.98 61.21 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -42.84 -31.19 0.46 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.843 1.657 . . . . 0.0 114.533 -174.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.4 tptp -52.27 -64.98 0.64 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.863 1.665 . . . . 0.0 112.907 167.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.16 -35.15 73.81 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.438 2.295 . . . . 0.0 109.735 -173.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.77 -52.35 64.26 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.065 1.346 . . . . 0.0 108.527 167.655 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.4 tm? -69.01 -44.75 72.13 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -164.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -56.02 -39.82 72.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 128.032 2.533 . . . . 0.0 114.985 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -77.49 -27.28 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.856 1.207 . . . . 0.0 112.668 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.3 tp -76.69 -30.69 56.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.342 1.057 . . . . 0.0 112.458 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt . . . . . 0 CA--C 1.547 0.846 0 C-N-CA 125.299 1.44 . . . . 0.0 112.987 172.774 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.5 t80 . . . . . 0 CA--C 1.54 0.564 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.1 -34.4 21.84 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 119.945 1.248 . . . . 0.0 113.714 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.6 -36.43 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 124.179 0.992 . . . . 0.0 112.373 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -54.58 -42.95 71.67 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.913 -1.117 . . . . 0.0 110.408 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.17 -45.87 86.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.216 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.87 -55.81 15.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.335 1.425 . . . . 0.0 112.084 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -66.9 -39.82 87.55 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.917 0.865 . . . . 0.0 111.859 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -62.39 -44.7 95.84 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.42 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.35 -54.14 37.69 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.174 1.79 . . . . 0.0 110.877 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.36 -40.4 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 121.595 -0.691 . . . . 0.0 111.981 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.37 -24.06 61.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 118.783 -1.167 . . . . 0.0 113.504 174.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.41 -31.54 72.79 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.583 1.083 . . . . 0.0 111.055 169.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.03 -47.85 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.512 -1.368 . . . . 0.0 110.702 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.47 -49.83 61.82 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 t -117.83 -27.79 6.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.593 1.157 . . . . 0.0 113.249 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.58 -16.42 73.92 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.414 1.006 . . . . 0.0 113.229 170.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.318 61.9 p 54.68 35.95 25.02 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.519 2.328 . . . . 0.0 114.509 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -64.85 133.82 52.73 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.113 0.965 . . . . 0.0 110.765 171.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -156.06 112.59 3.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.41 1.884 . . . . 0.0 108.227 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.9 -172.27 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.515 1.126 . . . . 0.0 112.042 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -66.44 36.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 129.62 3.168 . . . . 0.0 117.051 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.1 -6.63 59.17 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 126.177 1.846 . . . . 0.0 115.07 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 m -60.78 -58.99 6.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.801 1.801 . . . . 0.0 110.873 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -65.15 -33.2 75.45 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.688 -1.257 . . . . 0.0 112.916 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -55.88 -58.31 8.41 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.554 1.142 . . . . 0.0 110.864 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.1 tptt -58.92 -43.15 91.06 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.914 1.286 . . . . 0.0 112.445 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.629 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -52.86 -52.38 57.5 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.043 1.292 . . . . 0.0 111.517 170.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.94 -25.43 43.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 119.505 -1.997 . . . . 0.0 114.85 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.0 p -81.96 -27.06 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.628 -0.67 . . . . 0.0 111.263 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.8 t -68.76 -33.02 73.2 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.747 -1.221 . . . . 0.0 111.504 171.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.99 -57.65 5.47 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.281 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -38.69 85.11 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.389 0.43 . . . . 0.0 111.231 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.22 -18.61 16.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.721 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -111.12 -38.34 5.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 161.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -61.55 -41.49 97.44 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 112.756 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.05 -35.75 42.08 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.603 1.561 . . . . 0.0 112.607 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -103.25 -63.25 1.19 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -174.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -75.25 -45.86 37.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.827 1.651 . . . . 0.0 114.593 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 m120 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.178 1.791 . . . . 0.0 112.813 -169.794 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.9 tpp . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 111.254 0.094 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -131.6 146.8 52.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.133 . . . . 0.0 112.628 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.0 mmt -121.51 12.89 10.87 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . 0.482 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 68.8 m 46.36 -94.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.544 2.338 . . . . 0.0 115.187 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.425 ' O ' ' HE3' ' B' ' 56' ' ' LYS . 5.5 mt -125.98 86.06 2.48 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.22 1.827 . . . . 0.0 110.594 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.21 -37.82 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.476 -0.765 . . . . 0.0 110.515 174.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.71 3.26 52.69 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.862 1.22 . . . . 0.0 114.122 -170.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.91 -59.69 0.59 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.656 1.182 . . . . 0.0 110.328 169.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.84 42.72 32.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.776 2.031 . . . . 0.0 114.257 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 108.99 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.884 0.874 . . . . 0.0 112.839 -158.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.312 3.4 t 49.88 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.738 2.815 . . . . 0.0 115.444 177.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.64 -32.1 73.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.0 1.32 . . . . 0.0 112.516 167.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -101.73 8.87 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.4 1.08 . . . . 0.0 112.479 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.79 -10.82 58.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -44.31 -31.03 0.91 Allowed 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.397 1.453 . . . . 0.0 114.065 -174.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.1 tptp -47.91 -67.74 0.25 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.504 1.522 . . . . 0.0 113.523 165.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.61 -37.5 79.84 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 127.244 2.217 . . . . 0.0 109.379 -173.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -50.92 -48.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 129.246 3.019 . . . . 0.0 111.14 168.423 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.73 -44.79 55.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.543 -1.263 . . . . 0.0 108.095 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -59.15 -37.92 78.44 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.169 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 pt -79.24 -29.36 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 173.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -71.74 -31.61 66.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 pt -84.16 -170.86 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.616 1.166 . . . . 0.0 114.058 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.18 -35.38 67.17 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.545 2.338 . . . . 0.0 115.029 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -148.93 145.19 27.28 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.889 1.276 . . . . 0.0 112.211 -176.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.42 71.61 0.66 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.126 2.171 . . . . 0.0 112.168 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' TYR . . . . . 0.414 ' CE2' HD21 ' B' ' 34' ' ' LEU . 31.1 t80 -59.73 -36.05 75.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -162.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.17 -45.36 1.32 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.027 1.731 . . . . 0.0 114.09 169.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.59 -39.13 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 121.234 -0.916 . . . . 0.0 111.542 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -57.85 -40.81 81.04 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.771 -0.581 . . . . 0.0 110.684 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.414 HD21 ' CE2' ' B' ' 30' ' ' TYR . 11.2 mt -58.55 -48.33 81.25 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.528 -1.225 . . . . 0.0 110.757 170.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -53.13 -55.74 21.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.96 1.255 . . . . 0.0 111.145 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -66.07 -39.26 89.93 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 119.464 1.029 . . . . 0.0 112.285 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -63.14 -41.79 99.36 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.966 0.888 . . . . 0.0 111.023 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.53 -55.79 13.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.813 2.045 . . . . 0.0 110.824 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.08 -41.79 81.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 121.757 -0.59 . . . . 0.0 111.442 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.8 -28.48 63.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.462 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.27 -25.05 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.528 1.058 . . . . 0.0 111.366 174.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.13 -48.48 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.673 -1.267 . . . . 0.0 110.467 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.64 -43.07 81.23 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -123.54 -31.89 3.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.595 1.158 . . . . 0.0 113.257 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.24 -20.21 69.05 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.047 -1.033 . . . . 0.0 113.245 172.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.68 45.27 19.3 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.704 2.002 . . . . 0.0 113.834 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -59.99 144.94 47.97 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.262 -0.899 . . . . 0.0 110.685 161.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -143.91 123.69 13.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.488 1.115 . . . . 0.0 111.837 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 p -164.17 169.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.372 2.269 . . . . 0.0 109.209 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.97 -162.51 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.15 1.38 . . . . 0.0 112.116 166.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.42 -7.4 0.88 Allowed Glycine 0 N--CA 1.47 0.959 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 -171.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 60.2 m -47.22 -65.89 0.49 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.469 1.634 . . . . 0.0 111.364 168.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.93 -35.58 78.68 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.97 -1.081 . . . . 0.0 113.098 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -50.67 -54.81 20.03 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.68 1.192 . . . . 0.0 110.05 170.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.2 tptt -64.22 -44.98 90.23 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.534 1.533 . . . . 0.0 113.225 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 8' ' ' LEU . 0.7 OUTLIER -55.54 -44.85 77.11 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.118 1.781 . . . . 0.0 111.784 172.448 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.66 -42.31 67.66 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.301 -1.5 . . . . 0.0 112.653 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.9 p -79.6 -27.26 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.889 -0.507 . . . . 0.0 111.991 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -68.47 -37.2 79.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.074 -1.016 . . . . 0.0 111.325 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -59.58 3.18 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.906 175.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.33 98.12 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.607 0.763 . . . . 0.0 111.754 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.53 -19.49 63.69 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.785 1.234 . . . . 0.0 113.088 -174.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -110.55 -33.5 6.57 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 159.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -53.46 -52.22 60.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.504 1.956 . . . . 0.0 112.461 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -84.78 -41.0 16.57 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.868 1.318 . . . . 0.0 113.365 -167.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -64.45 -52.28 58.85 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.144 -2.298 . . . . 0.0 114.306 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.83 -85.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.599 1.56 . . . . 0.0 114.121 -170.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 127.907 2.483 . . . . 0.0 112.025 -174.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.969 -0.452 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.4 t -149.47 154.21 38.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.091 1.357 . . . . 0.0 111.86 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -86.11 -4.56 59.19 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.592 1.157 . . . . 0.0 113.056 176.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.9 tmm? -50.41 117.53 2.47 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.085 1.354 . . . . 0.0 112.041 -170.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.8 ttp180 -70.37 152.32 44.24 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.788 1.235 . . . . 0.0 113.355 -165.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -119.14 11.89 12.51 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 114.937 1.458 . . . . 0.0 114.937 178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.534 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.284 66.2 m 46.15 -89.29 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 127.831 2.452 . . . . 0.0 115.407 -177.595 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.23 93.47 3.08 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 122.111 2.232 . . . . 0.0 113.331 177.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -74.09 -32.23 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 126.447 1.899 . . . . 0.0 111.042 177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.34 -5.32 70.95 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 124.652 1.12 . . . . 0.0 115.265 -171.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -123.52 -68.11 0.89 Allowed 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.171 1.486 . . . . 0.0 109.709 170.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.59 31.88 18.07 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.151 1.381 . . . . 0.0 114.357 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -56.79 164.39 1.54 Allowed 'General case' 0 C--O 1.216 -0.679 0 C-N-CA 126.152 1.781 . . . . 0.0 111.545 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -35.59 -43.95 0.29 Allowed 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 117.249 2.314 . . . . 0.0 117.249 -175.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -75.78 -33.46 60.17 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 120.129 -1.607 . . . . 0.0 113.716 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -90.57 6.29 44.3 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.877 2.471 . . . . 0.0 113.119 173.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.06 -10.74 60.28 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 125.143 1.377 . . . . 0.0 113.881 -174.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.452 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.5 pm0 -45.16 -27.15 0.57 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -175.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.9 tptp -51.66 -67.74 0.23 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.021 1.328 . . . . 0.0 113.428 164.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.508 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -67.05 -39.3 86.91 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 127.656 2.382 . . . . 0.0 109.592 -172.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -51.65 -48.25 63.45 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 130.147 3.379 . . . . 0.0 111.671 168.102 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -75.83 -41.06 53.68 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.55 -174.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.4 HD21 ' HE2' ' A' ' 19' ' ' LYS . 79.1 m-20 -58.89 -37.58 76.91 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 125.741 1.617 . . . . 0.0 113.923 177.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 pt -79.27 -27.63 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 CA-C-N 119.533 1.06 . . . . 0.0 112.976 171.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.1 tt -73.55 -31.85 63.86 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.895 0.878 . . . . 0.0 112.718 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.6 pt -78.46 -173.34 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 124.64 1.176 . . . . 0.0 113.592 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -49.21 -41.77 38.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.378 2.271 . . . . 0.0 114.885 -171.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -153.62 159.42 42.11 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 125.606 1.562 . . . . 0.0 111.072 175.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -60.87 147.29 43.45 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.789 0.836 . . . . 0.0 112.561 175.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -139.09 -27.99 0.8 Allowed 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.146 1.535 . . . . 0.0 115.146 -167.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.04 -35.21 33.21 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 122.249 1.023 . . . . 0.0 112.345 172.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.494 HG23 HG21 ' B' ' 32' ' ' ILE . 1.7 mp -64.6 -37.58 80.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 125.8 1.64 . . . . 0.0 112.547 178.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -58.73 -45.19 90.18 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.391 -0.818 . . . . 0.0 110.383 174.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.76 -44.16 93.99 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-O 116.939 -1.505 . . . . 0.0 111.306 170.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.6 tt -53.9 -53.33 54.15 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 120.927 1.694 . . . . 0.0 111.463 -179.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.2 t -67.77 -37.14 81.7 Favored 'General case' 0 C--O 1.245 0.866 0 CA-C-N 119.471 1.032 . . . . 0.0 112.144 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.13 -41.97 98.77 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 122.034 0.921 . . . . 0.0 111.326 175.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -69.9 -53.85 16.1 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 127.227 2.211 . . . . 0.0 110.247 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -57.0 -41.54 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.453 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.11 -25.54 61.78 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 118.584 -1.246 . . . . 0.0 113.426 175.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -66.35 -26.47 67.29 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.557 1.071 . . . . 0.0 112.004 171.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.56 -51.52 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.074 0 O-C-N 120.523 -1.361 . . . . 0.0 110.384 167.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -64.8 -43.98 91.4 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.804 1.241 . . . . 0.0 113.629 -168.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -123.95 -29.03 3.7 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.932 1.293 . . . . 0.0 113.129 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -18.24 72.81 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 121.065 -1.022 . . . . 0.0 113.199 172.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.293 67.4 p 52.51 42.51 31.36 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 126.893 2.077 . . . . 0.0 114.134 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -55.64 142.4 34.04 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.726 0.81 . . . . 0.0 110.975 165.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -152.86 121.29 6.32 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.426 1.491 . . . . 0.0 109.976 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.505 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -162.23 165.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.369 1.868 . . . . 0.0 109.194 -178.012 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 47.1 t0 -76.7 60.81 1.74 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.092 2.557 . . . . 0.0 114.35 -168.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.7 -8.88 67.19 Favored Glycine 0 N--CA 1.468 0.775 0 C-N-CA 127.598 2.523 . . . . 0.0 115.123 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.3 m -60.55 -58.48 8.32 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 120.212 2.006 . . . . 0.0 110.643 -179.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.505 ' H ' HG13 ' A' ' 49' ' ' VAL . 6.2 t -66.53 -34.75 78.62 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -54.99 -54.38 43.67 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.266 1.026 . . . . 0.0 110.61 170.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.5 tptt -60.04 -43.06 95.59 Favored 'General case' 0 N--CA 1.434 -1.247 0 C-N-CA 125.429 1.492 . . . . 0.0 112.008 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -57.84 -45.43 86.25 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 120.244 1.384 . . . . 0.0 112.08 173.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.77 -42.94 76.74 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 120.223 -1.548 . . . . 0.0 112.351 -178.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -78.76 -27.73 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.597 0 C-N-CA 123.244 0.617 . . . . 0.0 112.025 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.5 t -71.44 -36.51 71.29 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 120.985 -1.072 . . . . 0.0 112.125 174.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -50.94 -55.88 15.07 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 118.155 -0.926 . . . . 0.0 110.326 175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -40.0 94.35 Favored 'General case' 0 N--CA 1.483 1.213 0 CA-C-N 118.781 0.719 . . . . 0.0 111.807 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -58.79 -18.54 32.98 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.47 -33.54 6.14 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 116.062 1.875 . . . . 0.0 116.062 165.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -66.82 -50.69 61.79 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 120.107 1.321 . . . . 0.0 113.895 178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -70.35 -33.58 71.62 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.014 1.325 . . . . 0.0 112.514 -176.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -98.89 -60.69 1.49 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.231 1.937 . . . . 0.0 116.231 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -97.85 -43.04 7.28 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 -160.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 127.403 2.281 . . . . 0.0 112.176 -174.361 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.545 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -64.04 143.34 57.95 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.508 1.123 . . . . 0.0 112.973 -176.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -87.82 33.71 0.72 Allowed 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.942 1.297 . . . . 0.0 113.188 -171.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 28.1 ttt -67.74 109.21 3.24 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.152 -0.968 . . . . 0.0 110.794 -175.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.413 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 13.2 ttp180 -66.28 149.82 49.77 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.144 0.978 . . . . 0.0 112.476 -174.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.0 14.19 10.65 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.5 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.281 70.7 m 48.02 -86.6 0.01 OUTLIER 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 127.969 2.508 . . . . 0.0 116.1 -176.842 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -135.86 106.3 6.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 123.179 2.718 . . . . 0.0 113.721 168.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -80.12 -38.46 18.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 125.629 1.572 . . . . 0.0 111.733 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.69 -3.3 26.1 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.053 1.311 . . . . 0.0 115.709 -176.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -140.73 -53.13 0.48 Allowed 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 119.024 1.412 . . . . 0.0 110.564 169.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.12 44.39 19.26 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.215 1.806 . . . . 0.0 114.808 177.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -96.62 102.44 14.23 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -160.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.322 4.2 t 52.88 -67.04 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 129.095 2.958 . . . . 0.0 115.605 175.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -69.53 -23.7 63.63 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.714 1.206 . . . . 0.0 112.519 166.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -105.46 4.99 31.21 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.466 1.507 . . . . 0.0 112.384 176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -68.95 -10.72 58.79 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 114.635 1.346 . . . . 0.0 114.635 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.46 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.37 -27.93 0.77 Allowed 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -173.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.5 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.7 tptp -53.04 -66.03 0.46 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.201 1.4 . . . . 0.0 113.048 166.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.523 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.14 -38.2 81.92 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 127.493 2.317 . . . . 0.0 109.519 -173.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.46 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -52.13 -48.38 64.89 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 129.707 3.203 . . . . 0.0 111.571 167.506 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -72.88 -44.91 60.74 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 -174.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -58.99 -34.08 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.598 1.959 . . . . 0.0 114.981 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -82.27 -28.59 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-N 119.088 0.858 . . . . 0.0 112.563 171.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.1 tp -75.05 -31.1 61.2 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 113.079 0.77 . . . . 0.0 113.079 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.3 pt -77.24 -177.41 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 124.672 1.189 . . . . 0.0 113.405 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -61.28 -31.93 71.75 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 115.398 1.629 . . . . 0.0 115.398 -170.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -144.24 146.35 32.61 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.925 1.29 . . . . 0.0 112.1 176.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.27 141.33 58.66 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.08 0.952 . . . . 0.0 111.854 175.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -136.66 -29.68 0.93 Allowed 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 116.347 1.98 . . . . 0.0 116.347 -161.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.06 -35.89 37.01 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 120.502 1.501 . . . . 0.0 114.03 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.494 HG21 HG23 ' A' ' 32' ' ' ILE . 22.6 mm -71.47 -28.64 32.34 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -55.4 -47.41 75.94 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.611 -0.68 . . . . 0.0 109.597 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -58.8 -55.84 29.96 Favored 'General case' 0 C--O 1.222 -0.345 0 C-N-CA 124.42 1.088 . . . . 0.0 110.959 170.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -48.68 -51.85 26.41 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.535 1.134 . . . . 0.0 112.361 -177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.3 t -70.79 -39.9 72.86 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 121.509 -0.745 . . . . 0.0 111.954 -177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -59.17 -41.69 89.04 Favored 'General case' 0 CA--C 1.547 0.855 0 CA-C-O 122.045 0.926 . . . . 0.0 110.679 174.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -71.59 -52.96 15.37 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 126.918 2.087 . . . . 0.0 110.692 -173.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.65 -42.72 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 121.613 -0.679 . . . . 0.0 111.161 178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.13 -26.24 61.15 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 119.355 -0.938 . . . . 0.0 113.45 177.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -69.67 -24.46 63.61 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 119.571 1.078 . . . . 0.0 111.167 174.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.35 -46.35 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 O-C-N 120.915 -1.116 . . . . 0.0 110.358 172.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -64.45 -52.13 59.59 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 -175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -118.47 -30.31 5.23 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.771 1.229 . . . . 0.0 112.746 -175.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.37 -15.95 70.86 Favored Glycine 0 CA--C 1.54 1.656 0 O-C-N 121.229 -0.92 . . . . 0.0 114.015 170.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.3 p 53.02 41.38 32.16 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 127.176 2.19 . . . . 0.0 115.363 177.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -57.93 145.53 35.38 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.597 -0.689 . . . . 0.0 110.584 160.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -144.68 126.68 15.48 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.278 1.031 . . . . 0.0 111.774 -176.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -163.27 169.58 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 127.189 2.195 . . . . 0.0 109.278 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -60.64 -171.03 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.935 1.694 . . . . 0.0 112.239 165.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.89 -7.41 0.3 Allowed Glycine 0 N--CA 1.474 1.176 0 N-CA-C 117.899 1.92 . . . . 0.0 117.899 -175.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.1 m -46.4 -67.41 0.28 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 119.526 1.663 . . . . 0.0 111.219 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -65.31 -41.58 93.89 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.182 0.901 . . . . 0.0 112.257 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.5 m-85 -46.82 -53.2 12.52 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.211 1.004 . . . . 0.0 110.764 173.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.498 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.1 tptt -61.9 -41.67 98.18 Favored 'General case' 0 N--CA 1.433 -1.325 0 C-N-CA 125.079 1.352 . . . . 0.0 112.499 179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.441 ' O ' HD23 ' B' ' 60' ' ' LEU . 13.1 mptt -60.71 -46.87 88.75 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 120.868 1.667 . . . . 0.0 112.095 172.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.28 -37.15 77.71 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 119.432 -2.042 . . . . 0.0 111.915 -177.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.498 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.9 p -81.17 -28.36 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.521 0.728 . . . . 0.0 112.454 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.14 -32.24 66.71 Favored 'General case' 0 N--CA 1.478 0.957 0 O-C-N 120.331 -1.481 . . . . 0.0 112.269 173.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.441 HD23 ' O ' ' B' ' 56' ' ' LYS . 2.1 mm? -49.15 -56.09 10.29 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.949 -0.548 . . . . 0.0 110.495 175.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.81 -38.53 83.4 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 119.099 -0.477 . . . . 0.0 112.225 174.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -53.86 -24.69 16.67 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-O 119.032 -0.509 . . . . 0.0 112.106 178.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -46.64 4.73 Favored 'General case' 0 N--CA 1.479 1.002 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 170.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -62.09 -47.62 83.81 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -74.57 -32.67 62.47 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.795 1.238 . . . . 0.0 112.421 -176.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.51 -61.65 1.37 Allowed 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 116.455 2.02 . . . . 0.0 116.455 -174.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.33 -45.15 15.3 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.046 1.128 . . . . 0.0 114.046 -168.157 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 31.8 m120 . . . . . 0 C--O 1.253 1.241 0 C-N-CA 125.971 1.708 . . . . 0.0 113.198 -173.194 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -148.31 157.85 43.74 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.063 1.345 . . . . 0.0 111.752 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -155.59 163.98 39.25 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 126.025 1.73 . . . . 0.0 111.562 -176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -68.02 148.59 50.81 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.443 1.097 . . . . 0.0 111.627 169.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.455 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 18.9 ttp180 -128.19 151.76 48.86 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 126.288 1.835 . . . . 0.0 111.14 178.609 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.3 mmt -122.26 11.55 10.11 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.903 1.816 . . . . 0.0 115.903 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.542 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.27 66.5 m 45.98 -92.34 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 127.293 2.237 . . . . 0.0 115.516 -177.333 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.8 mt -128.31 91.94 3.35 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 121.18 1.809 . . . . 0.0 110.817 -177.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -77.79 -32.69 18.07 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 124.507 1.123 . . . . 0.0 111.158 176.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.46 4.44 57.23 Favored Glycine 0 CA--C 1.541 1.671 0 C-N-CA 125.003 1.287 . . . . 0.0 114.765 -174.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -57.43 0.78 Allowed 'General case' 0 N--CA 1.478 0.965 0 CA-C-N 118.759 1.28 . . . . 0.0 110.168 162.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.275 0.0 OUTLIER 49.08 36.63 9.09 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.08 1.752 . . . . 0.0 113.471 -178.44 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 -62.29 170.82 2.12 Favored 'General case' 0 C--O 1.216 -0.664 0 C-N-CA 126.265 1.826 . . . . 0.0 111.998 177.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -39.03 -42.72 0.92 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.776 2.139 . . . . 0.0 116.776 -173.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -76.53 -35.01 58.53 Favored 'General case' 0 N--CA 1.482 1.164 0 O-C-N 120.295 -1.503 . . . . 0.0 113.467 175.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -86.66 8.09 23.85 Favored 'General case' 0 CA--C 1.548 0.882 0 C-N-CA 127.304 2.241 . . . . 0.0 113.717 172.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -71.41 -9.63 58.48 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.467 -1.395 . . . . 0.0 113.901 -172.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.82 -32.57 0.63 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 125.743 1.617 . . . . 0.0 114.051 -177.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.9 tptp -49.99 -67.44 0.26 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.046 1.738 . . . . 0.0 113.006 166.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.524 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.13 -36.23 74.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 127.321 2.249 . . . . 0.0 109.763 -174.022 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.577 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -54.06 -51.28 64.6 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 124.821 1.248 . . . . 0.0 108.446 167.762 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' C ' HD13 ' A' ' 22' ' ' LEU . 1.9 tm? -68.74 -44.59 73.46 Favored 'General case' 0 CA--C 1.538 0.481 0 N-CA-C 106.358 -1.719 . . . . 0.0 106.358 -166.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -58.75 -24.34 61.47 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 128.351 2.661 . . . . 0.0 116.32 176.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.0 pt -92.77 -27.03 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 120.713 1.597 . . . . 0.0 113.419 167.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.9 tp -72.98 -31.04 64.27 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.012 1.325 . . . . 0.0 112.696 -177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 18.6 pt -74.45 -177.18 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.866 0 C-N-CA 125.068 1.347 . . . . 0.0 113.623 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.2 p30 -62.82 -26.8 68.92 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 -170.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 p-80 -141.76 149.78 40.89 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.538 1.135 . . . . 0.0 112.986 172.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -69.12 142.69 54.34 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.215 1.006 . . . . 0.0 112.513 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -137.46 -139.14 0.15 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.911 0.884 . . . . 0.0 112.865 -170.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.55 -43.13 0.01 OUTLIER 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.539 3.136 . . . . 0.0 116.961 -153.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD11 ' CG ' ' A' ' 64' ' ' PHE . 10.5 mm -78.98 -29.55 14.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 C-N-CA 125.048 1.339 . . . . 0.0 114.315 -166.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -59.6 -36.99 77.35 Favored 'General case' 0 CA--C 1.543 0.71 0 O-C-N 121.405 -0.809 . . . . 0.0 110.125 167.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 20.0 mt -62.65 -47.32 84.22 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.356 171.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.3 tp -48.13 -55.47 10.22 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.827 1.194 . . . . 0.0 112.46 176.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -66.75 -37.49 84.75 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 119.338 0.972 . . . . 0.0 111.958 -176.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.47 -42.62 96.62 Favored 'General case' 0 CA--C 1.55 0.97 0 CA-C-O 122.027 0.918 . . . . 0.0 111.254 174.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -70.45 -54.21 13.27 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 127.012 2.125 . . . . 0.0 110.561 -174.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.16 -42.25 79.4 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.109 0 CA-C-O 118.71 -0.662 . . . . 0.0 110.877 179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -72.21 -28.34 63.12 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 118.76 -1.176 . . . . 0.0 113.353 177.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -67.8 -23.37 65.19 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 119.216 0.916 . . . . 0.0 111.445 174.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.44 -46.74 16.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.876 -1.14 . . . . 0.0 110.411 172.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.46 -46.76 81.73 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.916 1.287 . . . . 0.0 113.533 -174.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -125.76 -28.66 3.22 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.797 1.239 . . . . 0.0 113.488 -176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -20.57 74.28 Favored Glycine 0 CA--C 1.539 1.567 0 O-C-N 121.176 -0.953 . . . . 0.0 113.426 169.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.05 44.52 22.56 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 126.589 1.956 . . . . 0.0 113.899 177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -58.0 143.38 43.42 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.266 -0.896 . . . . 0.0 110.424 161.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -145.84 124.77 12.73 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.339 1.056 . . . . 0.0 111.597 -175.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 p -164.56 171.29 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 C-N-CA 127.438 2.295 . . . . 0.0 108.943 -178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -60.35 -170.71 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.607 1.563 . . . . 0.0 111.987 164.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.83 -6.31 0.21 Allowed Glycine 0 N--CA 1.473 1.144 0 N-CA-C 118.063 1.985 . . . . 0.0 118.063 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.8 m -47.64 -65.59 0.54 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 120.027 1.914 . . . . 0.0 111.623 169.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -66.22 -36.27 82.6 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.833 -1.167 . . . . 0.0 113.071 -174.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -52.57 -56.18 17.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 124.737 1.215 . . . . 0.0 110.314 170.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.533 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.8 tptt -62.14 -43.6 98.47 Favored 'General case' 0 N--CA 1.436 -1.142 0 CA-C-O 117.194 -1.384 . . . . 0.0 112.725 -178.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' O ' HG22 ' A' ' 59' ' ' THR . 1.3 mptm? -51.69 -55.58 18.72 Favored 'General case' 0 N--CA 1.483 1.223 0 CA-C-N 120.701 1.591 . . . . 0.0 111.427 170.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.1 pp -80.42 -21.69 41.95 Favored 'General case' 0 CA--C 1.536 0.435 0 O-C-N 119.83 -1.794 . . . . 0.0 114.734 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.4 p -83.91 -25.84 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 O-C-N 121.779 -0.576 . . . . 0.0 111.817 170.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.615 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.5 t -70.01 -34.2 73.0 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.718 172.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -45.81 -57.2 4.5 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.428 174.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -38.07 76.51 Favored 'General case' 0 N--CA 1.478 0.951 0 CA-C-O 119.176 -0.44 . . . . 0.0 112.019 177.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -54.6 -23.71 18.13 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 118.027 -0.987 . . . . 0.0 112.528 -178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -117.46 -25.76 6.88 Favored 'General case' 0 N--CA 1.483 1.18 0 N-CA-C 116.691 2.108 . . . . 0.0 116.691 165.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.459 ' CG ' HD11 ' A' ' 32' ' ' ILE . 52.6 t80 -66.33 -48.14 71.24 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 121.679 2.036 . . . . 0.0 113.137 176.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -72.06 -35.05 69.18 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 125.152 1.381 . . . . 0.0 112.219 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -93.69 -63.07 1.24 Allowed 'General case' 0 CA--C 1.549 0.908 0 N-CA-C 116.333 1.975 . . . . 0.0 116.333 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 -102.96 -42.9 5.67 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 116.572 2.064 . . . . 0.0 116.572 -158.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 10.6 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 125.276 1.431 . . . . 0.0 113.255 -169.809 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.56 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.0 m -139.47 162.44 35.05 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.099 1.359 . . . . 0.0 112.283 -172.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.534 ' CD2' HD21 ' B' ' 21' ' ' LEU . 19.3 m170 55.8 31.66 18.03 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.527 1.531 . . . . 0.0 114.782 172.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.7 mtt -58.04 120.92 9.43 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 121.42 -0.8 . . . . 0.0 112.118 -169.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.442 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 2.0 ttp180 -68.3 150.15 48.58 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.524 1.13 . . . . 0.0 112.921 -168.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.4 mmt -121.71 16.6 11.09 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.271 92.0 p 42.74 -92.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 128.348 2.659 . . . . 0.0 115.298 -175.118 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 10.4 mt -132.7 95.12 3.53 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 121.065 1.757 . . . . 0.0 110.735 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -77.18 -30.92 17.93 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 C-N-CA 125.473 1.509 . . . . 0.0 111.493 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.27 -3.96 54.86 Favored Glycine 0 CA--C 1.539 1.535 0 C-N-CA 125.89 1.71 . . . . 0.0 114.944 -177.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.48 -62.21 1.04 Allowed 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.187 1.494 . . . . 0.0 108.956 166.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.16 35.47 25.75 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.012 1.725 . . . . 0.0 113.812 -177.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.2 m-30 -57.14 162.98 2.31 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.793 1.637 . . . . 0.0 111.791 175.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -34.96 -43.18 0.18 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 117.48 2.4 . . . . 0.0 117.48 -175.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -75.39 -30.1 60.02 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.325 -1.484 . . . . 0.0 113.682 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -96.55 5.93 49.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 128.582 2.753 . . . . 0.0 113.098 174.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -72.53 -10.62 60.02 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 124.958 1.303 . . . . 0.0 114.332 -173.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.729 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.3 pm0 -42.88 -27.99 0.22 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.182 1.793 . . . . 0.0 114.138 -177.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.442 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 3.3 tptp -52.07 -68.29 0.18 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 125.628 1.571 . . . . 0.0 112.797 165.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.524 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.41 -38.03 80.89 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 127.695 2.398 . . . . 0.0 109.391 -173.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.729 HD23 ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -55.57 -49.82 71.71 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 126.477 1.911 . . . . 0.0 109.478 167.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.1 tp -70.21 -41.78 73.2 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 -167.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -59.19 -35.78 74.19 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 128.261 2.624 . . . . 0.0 115.126 177.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.9 pt -80.02 -26.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.253 1.388 . . . . 0.0 112.782 170.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -76.9 -31.71 56.91 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.276 1.03 . . . . 0.0 112.478 -175.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -78.46 -169.31 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 C-N-CA 125.327 1.451 . . . . 0.0 113.051 173.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -48.84 -45.07 40.14 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.214 2.206 . . . . 0.0 114.798 -172.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -158.32 160.39 36.94 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 125.39 1.476 . . . . 0.0 112.012 178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -54.56 144.95 19.96 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.202 1.001 . . . . 0.0 111.651 172.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.505 ' CE2' HD21 ' B' ' 34' ' ' LEU . 42.1 t80 -143.21 -33.82 0.43 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.877 1.271 . . . . 0.0 113.875 -166.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 -46.4 9.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 126.269 1.828 . . . . 0.0 112.871 168.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.457 HG21 ' CG2' ' A' ' 32' ' ' ILE . 25.2 mm -78.34 -25.55 13.91 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 O-C-N 121.106 -0.996 . . . . 0.0 113.214 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 tt0 -59.1 -41.42 88.05 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 120.73 -1.231 . . . . 0.0 110.065 166.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.505 HD21 ' CE2' ' B' ' 30' ' ' TYR . 6.5 mt -55.52 -53.66 53.57 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 117.738 -1.125 . . . . 0.0 109.976 169.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.494 HD23 ' HG ' ' B' ' 60' ' ' LEU . 2.7 tm? -46.68 -53.91 10.7 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.377 1.071 . . . . 0.0 112.085 -178.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 24.5 t -64.64 -43.58 93.21 Favored 'General case' 0 C--O 1.245 0.856 0 CA-C-N 119.216 0.917 . . . . 0.0 111.89 -178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.6 -41.1 85.06 Favored 'General case' 0 CA--C 1.552 1.038 0 CA-C-O 122.826 1.298 . . . . 0.0 111.074 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 -77.14 -50.36 13.18 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 126.732 2.013 . . . . 0.0 111.439 -171.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.73 -41.72 80.16 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 O-C-N 121.316 -0.865 . . . . 0.0 111.011 174.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.7 -26.83 62.66 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 118.839 -1.144 . . . . 0.0 113.408 176.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -64.28 -31.45 72.66 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.526 1.057 . . . . 0.0 110.666 171.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -81.44 -46.2 20.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 120.569 -1.332 . . . . 0.0 110.647 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -66.8 -44.89 80.05 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.719 1.208 . . . . 0.0 113.625 -172.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -124.02 -31.38 3.38 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.457 1.103 . . . . 0.0 113.378 -178.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.58 -17.76 67.16 Favored Glycine 0 CA--C 1.54 1.623 0 O-C-N 121.015 -1.053 . . . . 0.0 113.304 172.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.5 m 57.13 46.98 18.08 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 127.034 2.134 . . . . 0.0 113.696 175.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm -62.25 148.05 46.06 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.999 0.92 . . . . 0.0 110.672 163.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -139.66 125.89 20.05 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.834 1.253 . . . . 0.0 111.077 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.7 p -164.11 168.19 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 127.159 2.184 . . . . 0.0 109.518 176.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -61.61 -169.47 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 126.108 1.763 . . . . 0.0 112.284 165.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.36 0.24 Allowed Glycine 0 N--CA 1.473 1.133 0 N-CA-C 118.029 1.972 . . . . 0.0 118.029 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 84.8 m -47.7 -63.35 1.08 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 119.854 1.827 . . . . 0.0 111.009 169.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 7.3 t -66.2 -40.9 90.72 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.888 1.222 . . . . 0.0 112.539 -175.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -47.86 -54.39 12.69 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.064 0.946 . . . . 0.0 110.625 171.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.479 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.7 tptt -61.5 -45.3 94.8 Favored 'General case' 0 N--CA 1.433 -1.296 0 CA-C-O 116.694 -1.622 . . . . 0.0 112.85 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.508 ' O ' HG22 ' B' ' 59' ' ' THR . 1.6 mptm? -50.74 -57.12 9.11 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-N 121.099 1.772 . . . . 0.0 111.268 169.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 37.3 mt -71.52 -30.11 65.55 Favored 'General case' 0 N--CA 1.473 0.701 0 O-C-N 119.81 -1.806 . . . . 0.0 112.674 -171.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.479 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.7 p -83.42 -27.33 7.66 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 121.705 -0.622 . . . . 0.0 112.548 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.508 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.0 t -71.55 -32.1 67.74 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.439 -1.413 . . . . 0.0 112.183 174.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.494 ' HG ' HD23 ' B' ' 35' ' ' LEU . 2.1 mm? -45.66 -59.19 2.9 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.92 0.888 . . . . 0.0 110.159 172.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.68 -35.87 73.04 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 119.447 -0.311 . . . . 0.0 111.602 178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.72 -19.62 28.66 Favored 'General case' 0 CA--C 1.544 0.712 0 CA-C-O 118.761 -0.637 . . . . 0.0 112.598 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.99 -32.9 5.6 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.84 2.163 . . . . 0.0 116.84 164.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -65.54 -52.77 50.01 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.06 1.3 . . . . 0.0 113.632 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 mmm180 -69.14 -33.38 73.35 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.066 -1.021 . . . . 0.0 112.405 -174.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -91.09 -59.88 2.05 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.514 1.926 . . . . 0.0 115.759 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -102.35 -45.65 5.03 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.002 1.482 . . . . 0.0 115.002 -160.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 . . . . . 0 C--O 1.254 1.303 0 C-N-CA 126.927 2.091 . . . . 0.0 112.482 -175.17 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.489 0 N-CA-C 111.308 -0.717 . . . . 0.0 111.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m -72.16 153.75 41.46 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.446 1.098 . . . . 0.0 112.927 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -127.15 146.58 50.34 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.584 1.554 . . . . 0.0 111.276 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 tpp -138.08 146.65 43.18 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.892 1.677 . . . . 0.0 110.078 -176.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.486 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 6.1 ttp180 -96.79 146.2 25.12 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 -168.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -127.14 63.83 1.32 Allowed 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.209 1.003 . . . . 0.0 109.069 174.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 41.0 m -47.54 115.82 1.25 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.042 0.937 . . . . 0.0 113.469 -170.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.492 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.275 3.8 mt 51.7 70.21 0.57 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 129.259 3.024 . . . . 0.0 114.169 175.235 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -66.29 -30.54 50.2 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.785 0 C-N-CA 124.818 1.247 . . . . 0.0 111.171 172.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.49 2.29 57.67 Favored Glycine 0 CA--C 1.544 1.887 0 C-N-CA 125.959 1.742 . . . . 0.0 115.145 -176.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -134.53 -56.17 0.84 Allowed 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 118.984 1.392 . . . . 0.0 110.206 164.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.92 44.15 23.54 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.541 1.536 . . . . 0.0 113.718 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -83.91 97.33 9.17 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.847 1.659 . . . . 0.0 113.531 -163.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.304 4.5 t 52.15 -68.82 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 128.821 2.849 . . . . 0.0 115.811 171.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -65.93 -26.57 67.66 Favored 'General case' 0 CA--C 1.545 0.785 0 O-C-N 120.506 -1.372 . . . . 0.0 112.391 164.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -99.98 5.97 45.15 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.703 1.601 . . . . 0.0 111.952 176.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -69.94 -8.98 53.31 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.695 1.369 . . . . 0.0 114.695 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.51 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.5 pm0 -43.48 -28.9 0.4 Allowed 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -175.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.486 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 0.6 OUTLIER -55.34 -64.29 0.89 Allowed 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 125.284 1.434 . . . . 0.0 112.258 168.588 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.571 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -70.09 -36.77 75.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 127.708 2.403 . . . . 0.0 109.763 -174.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -58.01 -52.38 65.74 Favored 'General case' 0 N--CA 1.462 0.148 0 C-N-CA 125.158 1.383 . . . . 0.0 109.032 168.623 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.2 tp -69.26 -42.34 75.7 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 -163.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 77.2 m-20 -52.21 -44.85 64.97 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.384 2.274 . . . . 0.0 115.351 172.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 16.9 pt -75.59 -25.79 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 121.076 1.762 . . . . 0.0 112.435 175.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.6 tp -77.79 -30.77 51.47 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.391 1.077 . . . . 0.0 112.82 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.7 pt -76.58 -170.98 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 125.121 1.368 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -45.9 -43.99 14.22 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 127.418 2.287 . . . . 0.0 114.693 -171.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -153.97 159.21 41.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.386 1.474 . . . . 0.0 111.107 171.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -59.35 146.02 41.29 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 112.447 174.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -138.37 -28.84 0.83 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 115.516 1.673 . . . . 0.0 115.516 -164.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.74 -36.17 57.31 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.8 1.182 . . . . 0.0 112.505 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 32' ' ' ILE . 1.5 mm -66.96 -33.53 64.02 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.651 0 N-CA-C 114.263 1.208 . . . . 0.0 114.263 178.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -58.89 -40.88 85.76 Favored 'General case' 0 C--O 1.24 0.582 0 O-C-N 121.544 -0.723 . . . . 0.0 110.329 171.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -64.4 -41.05 96.86 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-O 115.969 -1.967 . . . . 0.0 110.549 171.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 53.5 tp -53.43 -56.04 20.15 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 121.938 2.154 . . . . 0.0 111.844 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.2 t -66.26 -38.17 87.2 Favored 'General case' 0 C--O 1.248 0.987 0 CA-C-N 119.148 0.885 . . . . 0.0 111.74 -175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.2 t -61.69 -43.46 98.81 Favored 'General case' 0 CA--C 1.55 0.946 0 CA-C-O 121.927 0.87 . . . . 0.0 111.046 175.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -68.19 -55.07 13.62 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.135 2.174 . . . . 0.0 110.518 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.69 -41.47 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-O 118.87 -0.586 . . . . 0.0 111.342 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -70.88 -26.97 63.48 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 118.423 -1.311 . . . . 0.0 113.348 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -66.56 -26.22 67.02 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 119.402 1.001 . . . . 0.0 112.053 172.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 42' ' ' ILE . 3.1 mp -80.97 -51.65 15.25 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 O-C-N 120.395 -1.441 . . . . 0.0 110.533 167.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -66.06 -41.08 91.27 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.242 1.017 . . . . 0.0 113.637 -167.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.3 t -123.19 -29.25 3.89 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.525 1.13 . . . . 0.0 113.46 177.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.05 -17.56 75.73 Favored Glycine 0 CA--C 1.538 1.528 0 CA-C-N 119.65 1.114 . . . . 0.0 113.427 174.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.3 81.6 p 53.12 41.01 32.14 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 127.023 2.129 . . . . 0.0 114.642 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -57.54 142.15 45.41 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.885 0.874 . . . . 0.0 110.915 165.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -152.58 128.98 10.61 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.809 1.244 . . . . 0.0 110.582 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.508 HG13 ' H ' ' A' ' 53' ' ' THR . 2.1 p -161.84 166.29 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 126.497 1.919 . . . . 0.0 109.156 -179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -64.01 59.93 0.02 OUTLIER 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 131.007 3.723 . . . . 0.0 116.211 -177.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.3 -6.42 15.49 Favored Glycine 0 N--CA 1.469 0.894 0 C-N-CA 126.717 2.104 . . . . 0.0 115.359 -176.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.0 m -61.12 -58.34 8.78 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 120.576 2.188 . . . . 0.0 110.582 -178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.508 ' H ' HG13 ' A' ' 49' ' ' VAL . 7.1 t -61.5 -37.53 84.02 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.821 0.848 . . . . 0.0 113.227 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.1 m-85 -56.28 -57.1 13.7 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 124.713 1.205 . . . . 0.0 110.796 171.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.465 ' HA ' HG12 ' A' ' 58' ' ' VAL . 24.2 tptt -59.99 -44.56 94.43 Favored 'General case' 0 N--CA 1.435 -1.183 0 C-N-CA 125.285 1.434 . . . . 0.0 112.113 -178.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER -50.27 -52.83 33.0 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.215 1.37 . . . . 0.0 111.635 169.615 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -79.61 -25.11 41.54 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 119.953 -1.717 . . . . 0.0 114.81 -172.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.465 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.3 p -81.21 -26.49 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 O-C-N 121.635 -0.665 . . . . 0.0 111.722 172.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.8 t -71.86 -30.98 66.0 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 120.461 -1.399 . . . . 0.0 112.381 172.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.41 -56.84 7.12 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 118.798 -0.62 . . . . 0.0 109.916 172.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.93 -37.68 84.77 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 117.92 0.327 . . . . 0.0 111.615 177.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -54.82 -24.7 24.13 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-O 118.65 -0.691 . . . . 0.0 112.747 178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.65 -39.95 5.45 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 114.692 1.367 . . . . 0.0 114.692 171.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.401 ' CD1' HD11 ' A' ' 32' ' ' ILE . 73.5 t80 -65.33 -51.29 61.54 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.969 0.908 . . . . 0.0 113.082 -178.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -70.34 -36.48 74.24 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.86 1.264 . . . . 0.0 112.319 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -90.22 -61.67 1.63 Allowed 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 115.318 1.599 . . . . 0.0 115.318 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -100.73 -35.83 9.32 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 115.416 1.636 . . . . 0.0 115.416 -159.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 59.7 m-80 . . . . . 0 C--O 1.253 1.275 0 C-N-CA 126.425 1.89 . . . . 0.0 112.756 -179.255 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.558 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 36.1 m -68.77 152.59 45.12 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.47 1.108 . . . . 0.0 113.231 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -71.32 167.52 19.32 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 124.127 0.971 . . . . 0.0 112.229 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 51.2 tpp -65.33 141.6 58.52 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 121.305 -0.872 . . . . 0.0 110.51 162.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.594 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 46.9 ttp180 -137.92 143.73 40.95 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.768 1.627 . . . . 0.0 110.281 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 79.5 mmm -124.3 70.43 1.1 Allowed 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.777 0.799 . . . . 0.0 110.606 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 67.7 m -76.93 102.85 6.56 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.649 177.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.6 mt -133.99 142.75 47.78 Favored 'General case' 0 CA--C 1.535 0.397 1 C-N-CA 136.667 5.987 . . . . 0.0 107.119 -1.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -92.41 -43.05 13.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -173.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 111.39 1.28 27.92 Favored Glycine 0 CA--C 1.546 2.028 0 C-N-CA 125.138 1.351 . . . . 0.0 115.267 -170.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -139.74 -60.75 0.54 Allowed 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 118.85 1.325 . . . . 0.0 110.668 168.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.45 36.17 22.47 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.092 1.357 . . . . 0.0 113.715 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . 0.415 ' HA ' ' HE ' ' B' ' 63' ' ' ARG . 19.6 m-30 -55.66 162.82 1.54 Allowed 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.701 1.6 . . . . 0.0 111.667 176.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.8 t -35.23 -42.67 0.2 Allowed 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 -173.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.82 -29.09 50.45 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 120.121 -1.612 . . . . 0.0 114.038 175.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -94.54 7.51 45.37 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 129.009 2.923 . . . . 0.0 112.869 173.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -71.31 -8.92 56.89 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.566 1.147 . . . . 0.0 113.9 -176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.465 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -45.56 -27.75 0.82 Allowed 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 124.748 1.219 . . . . 0.0 113.998 -176.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.594 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.2 tptt -47.53 -73.28 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.718 2.007 . . . . 0.0 113.365 162.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.528 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -67.45 -35.21 78.76 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 127.901 2.48 . . . . 0.0 109.987 -173.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -52.78 -50.62 63.2 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 129.368 3.067 . . . . 0.0 111.537 167.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.2 tp -72.61 -39.66 67.12 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 116.453 -2.099 . . . . 0.0 107.726 -175.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.404 ' ND2' ' HD2' ' B' ' 19' ' ' LYS . 90.5 m-20 -64.14 -26.03 68.35 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 126.136 1.774 . . . . 0.0 115.287 -177.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -86.24 -29.89 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 CA-C-N 119.825 1.193 . . . . 0.0 112.314 166.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 54.4 tp -71.49 -27.68 63.39 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.923 0.889 . . . . 0.0 113.044 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 30.3 pt -84.41 -141.76 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 125.897 1.679 . . . . 0.0 112.121 174.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 37.7 m-80 -62.69 11.83 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 128.345 2.658 . . . . 0.0 115.481 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 68.07 149.43 0.06 Allowed 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 129.479 3.112 . . . . 0.0 116.455 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 56.48 20.95 5.18 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 127.176 2.19 . . . . 0.0 116.77 168.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -57.98 -31.7 67.17 Favored 'General case' 0 N--CA 1.478 0.975 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -169.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.8 -36.95 7.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.79 0.836 . . . . 0.0 113.08 172.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mm -69.65 -29.35 40.92 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 -179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 69.7 tt0 -59.58 -44.22 93.39 Favored 'General case' 0 C--O 1.242 0.708 0 O-C-N 121.383 -0.823 . . . . 0.0 110.202 172.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -61.12 -49.1 78.66 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-O 117.17 -1.395 . . . . 0.0 110.211 171.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 50.8 tp -48.44 -55.11 11.77 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.73 1.604 . . . . 0.0 111.658 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.8 t -68.19 -41.95 80.66 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.456 0.571 . . . . 0.0 111.61 -174.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 53.9 p -62.64 -38.93 92.2 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 120.12 -0.632 . . . . 0.0 111.03 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -71.77 -54.79 9.11 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 127.304 2.242 . . . . 0.0 110.966 -174.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.91 -43.4 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 118.575 -0.726 . . . . 0.0 111.019 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.6 -28.7 62.94 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 118.615 -1.234 . . . . 0.0 113.498 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -68.97 -23.02 64.07 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.587 1.085 . . . . 0.0 111.606 174.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -87.22 -46.97 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 120.693 -1.254 . . . . 0.0 110.199 173.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -65.26 -48.58 72.75 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.479 1.112 . . . . 0.0 113.494 -173.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.4 t -119.39 -31.26 4.68 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.505 1.122 . . . . 0.0 113.096 -177.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.22 -15.28 72.21 Favored Glycine 0 CA--C 1.54 1.628 0 O-C-N 121.237 -0.914 . . . . 0.0 114.225 171.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.316 82.1 p 54.5 37.65 28.24 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 127.218 2.207 . . . . 0.0 115.826 177.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mmmt -61.28 149.39 38.06 Favored 'General case' 0 N--CA 1.474 0.766 0 O-C-N 121.253 -0.904 . . . . 0.0 110.998 160.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -153.1 138.52 17.62 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.259 1.023 . . . . 0.0 112.074 179.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.556 HG13 ' H ' ' B' ' 53' ' ' THR . 2.6 p -161.26 160.96 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 126.759 2.023 . . . . 0.0 109.636 173.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -75.46 70.17 2.3 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.536 2.335 . . . . 0.0 114.455 -170.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.38 -10.94 19.69 Favored Glycine 0 N--CA 1.471 1.025 0 C-N-CA 127.962 2.696 . . . . 0.0 115.55 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -58.6 -60.43 3.82 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 119.667 1.734 . . . . 0.0 109.52 178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.556 ' H ' HG13 ' B' ' 49' ' ' VAL . 12.2 t -60.99 -44.58 97.2 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.584 -0.697 . . . . 0.0 112.578 179.142 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 60.6 m-85 -47.17 -54.01 11.69 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.328 1.051 . . . . 0.0 111.198 173.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.443 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.8 tptt -60.78 -40.56 93.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 C-N-CA 125.494 1.518 . . . . 0.0 112.671 179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.462 ' O ' HD23 ' B' ' 60' ' ' LEU . 1.1 mptm? -55.73 -51.07 68.62 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 120.857 1.662 . . . . 0.0 111.965 167.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -66.58 -34.69 78.45 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 119.26 -2.15 . . . . 0.0 112.208 -175.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' B' ' 55' ' ' LYS . 8.3 p -86.39 -26.53 6.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -71.18 -30.73 66.78 Favored 'General case' 0 N--CA 1.482 1.17 0 O-C-N 120.315 -1.491 . . . . 0.0 112.361 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.462 HD23 ' O ' ' B' ' 56' ' ' LYS . 2.9 mm? -45.88 -57.27 4.49 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.7 0.8 . . . . 0.0 110.55 170.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -36.27 77.77 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 117.945 0.339 . . . . 0.0 111.84 176.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -56.63 -19.55 16.78 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 118.51 -0.757 . . . . 0.0 112.877 178.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.415 ' HE ' ' HA ' ' B' ' 13' ' ' PHE . 62.9 mtt-85 -116.82 -29.9 5.91 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 117.741 2.497 . . . . 0.0 117.741 163.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -66.74 -46.74 74.46 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 120.548 1.522 . . . . 0.0 113.657 177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -74.52 -35.71 63.16 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.695 1.198 . . . . 0.0 112.598 -176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -92.52 -58.7 2.28 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 -176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -103.76 -35.78 8.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 115.787 1.773 . . . . 0.0 115.787 -158.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.254 1.309 0 C-N-CA 126.587 1.955 . . . . 0.0 112.282 -176.328 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.659 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 t -149.68 164.15 36.0 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 125.353 1.461 . . . . 0.0 111.614 178.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -147.8 167.81 23.76 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.348 1.459 . . . . 0.0 111.775 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt -81.23 152.75 27.51 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.571 1.148 . . . . 0.0 112.015 169.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.404 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 13.2 ttp180 -125.07 151.35 45.76 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 126.669 1.988 . . . . 0.0 111.157 176.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.8 mmm -122.0 11.52 10.29 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.571 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.253 68.5 m 47.79 -88.5 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 128.204 2.602 . . . . 0.0 116.109 -178.009 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -128.33 92.12 3.38 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 120.878 1.672 . . . . 0.0 110.279 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.402 HD11 HE22 ' A' ' 18' ' ' GLN . 4.8 mt -76.62 -39.23 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.451 0.7 . . . . 0.0 111.255 179.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.73 1.54 49.5 Favored Glycine 0 CA--C 1.546 1.995 0 C-N-CA 124.921 1.248 . . . . 0.0 114.797 -172.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -138.06 -51.51 0.6 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 119.147 1.474 . . . . 0.0 112.061 168.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.68 37.16 12.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.731 2.013 . . . . 0.0 115.572 177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.43 105.41 17.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 123.577 0.751 . . . . 0.0 112.531 -160.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.314 4.6 t 51.66 -71.67 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 128.717 2.807 . . . . 0.0 115.148 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -63.37 -31.57 72.76 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.568 1.147 . . . . 0.0 112.561 167.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -100.31 6.72 44.63 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.161 0.984 . . . . 0.0 112.019 178.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -69.8 -8.5 48.76 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.402 HE22 HD11 ' A' ' 9' ' ' ILE . 2.6 pm0 -42.87 -30.99 0.44 Allowed 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 120.775 1.625 . . . . 0.0 115.204 -176.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.3 tptp -53.56 -64.07 0.94 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.673 1.589 . . . . 0.0 112.535 168.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.465 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.3 mm? -70.78 -35.37 72.55 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 127.857 2.463 . . . . 0.0 109.629 -173.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.96 -53.53 55.82 Favored 'General case' 0 N--CA 1.463 0.216 0 C-N-CA 125.027 1.331 . . . . 0.0 108.298 167.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.7 tp -68.22 -45.8 72.3 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -162.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 67.7 m-20 -52.28 -42.05 63.4 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 127.798 2.439 . . . . 0.0 114.839 175.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.0 pt -79.59 -26.32 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 119.782 1.174 . . . . 0.0 112.864 175.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.9 tp -77.1 -30.22 55.25 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.409 1.084 . . . . 0.0 112.727 -176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -74.29 -177.26 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.909 0 C-N-CA 124.892 1.277 . . . . 0.0 113.051 173.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.23 -28.95 69.53 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -167.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -147.41 155.07 41.61 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.713 1.205 . . . . 0.0 111.692 165.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -64.04 150.3 45.67 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.107 0.963 . . . . 0.0 112.572 175.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.422 ' CZ ' HD11 ' A' ' 34' ' ' LEU . 8.2 t80 -130.33 -53.34 1.1 Allowed 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 -170.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.505 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -35.62 -43.14 0.26 Allowed 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 127.607 2.363 . . . . 0.0 116.73 -171.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' B' ' 32' ' ' ILE . 1.8 mp -69.8 -34.37 60.26 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.941 0 C-N-CA 124.458 1.103 . . . . 0.0 112.699 -177.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -57.95 -43.31 86.31 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.875 -1.141 . . . . 0.0 110.188 172.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.629 HD12 ' H ' ' A' ' 34' ' ' LEU . 4.1 mp -60.96 -45.57 94.19 Favored 'General case' 0 C--O 1.219 -0.5 0 CA-C-O 117.161 -1.399 . . . . 0.0 110.035 173.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -49.86 -55.47 14.16 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-N 120.327 1.421 . . . . 0.0 111.504 177.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 17.6 t -66.17 -38.2 87.48 Favored 'General case' 0 C--O 1.245 0.842 0 CA-C-N 119.805 1.184 . . . . 0.0 112.358 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.29 -42.81 92.15 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 122.717 1.246 . . . . 0.0 111.422 174.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 50.6 mm-40 -74.02 -52.25 13.32 Favored 'General case' 0 C--O 1.234 0.27 0 C-N-CA 126.928 2.091 . . . . 0.0 110.811 -172.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.4 pp -56.74 -41.95 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-O 118.838 -0.601 . . . . 0.0 111.025 176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.39 -27.27 62.26 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.02 -1.072 . . . . 0.0 113.517 176.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -66.37 -25.13 66.65 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 119.52 1.055 . . . . 0.0 111.121 173.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -85.04 -47.44 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 O-C-N 120.977 -1.077 . . . . 0.0 110.948 171.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -64.16 -43.93 93.64 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.567 1.147 . . . . 0.0 113.565 -172.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 t -127.07 -31.74 2.58 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.68 1.192 . . . . 0.0 113.489 -177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -65.59 -18.47 65.88 Favored Glycine 0 CA--C 1.54 1.617 0 O-C-N 120.885 -1.135 . . . . 0.0 113.516 171.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.53 43.32 22.91 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 126.749 2.019 . . . . 0.0 113.886 175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmmt -59.59 140.91 55.95 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.29 -0.881 . . . . 0.0 109.87 158.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -145.43 125.07 13.27 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.089 0.955 . . . . 0.0 112.046 -173.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.3 p -165.26 171.51 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 127.452 2.301 . . . . 0.0 109.141 -178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -60.22 -170.03 0.01 OUTLIER 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 126.055 1.742 . . . . 0.0 112.107 164.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.9 -6.84 0.37 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 117.902 1.921 . . . . 0.0 117.902 -175.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 86.2 m -46.89 -65.57 0.54 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 119.623 1.712 . . . . 0.0 111.264 169.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -66.88 -38.94 87.25 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 121.231 -0.918 . . . . 0.0 112.76 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -49.54 -53.54 22.99 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.211 1.004 . . . . 0.0 110.713 171.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.53 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.3 tptt -61.76 -41.22 97.41 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 125.017 1.327 . . . . 0.0 112.429 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' O ' HG22 ' A' ' 59' ' ' THR . 12.9 mptt -57.25 -47.8 80.46 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.479 1.49 . . . . 0.0 112.589 171.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -73.27 -35.63 66.21 Favored 'General case' 0 N--CA 1.476 0.829 0 O-C-N 119.805 -1.81 . . . . 0.0 112.758 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.53 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.0 p -80.48 -27.02 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 O-C-N 121.794 -0.566 . . . . 0.0 111.922 178.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.402 HG22 ' O ' ' A' ' 56' ' ' LYS . 6.6 t -70.54 -35.0 72.88 Favored 'General case' 0 N--CA 1.479 0.984 0 O-C-N 120.659 -1.275 . . . . 0.0 112.057 171.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.87 -54.8 7.56 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 118.69 -0.671 . . . . 0.0 110.423 173.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -34.62 73.82 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 113.229 0.826 . . . . 0.0 113.229 175.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -57.73 -19.13 25.44 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 123.985 0.914 . . . . 0.0 113.096 175.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.4 mmm180 -111.96 -34.05 6.1 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 116.42 2.007 . . . . 0.0 116.42 157.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -66.09 -49.33 67.96 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.6 2.0 . . . . 0.0 113.559 -173.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -71.75 -29.87 64.97 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.623 1.169 . . . . 0.0 112.514 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -101.53 -58.31 1.91 Allowed 'General case' 0 CA--C 1.548 0.871 0 C-N-CA 127.468 2.307 . . . . 0.0 116.585 -173.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -104.78 -43.31 5.14 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.76 1.763 . . . . 0.0 115.76 -157.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.3 m120 . . . . . 0 C--O 1.253 1.266 0 C-N-CA 125.502 1.521 . . . . 0.0 113.262 -174.879 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.722 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -65.47 -21.6 66.66 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.956 0.903 . . . . 0.0 113.385 175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -145.62 179.56 7.35 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 126.792 2.037 . . . . 0.0 110.097 171.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 23.9 ttt -83.68 147.17 27.82 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 124.214 1.005 . . . . 0.0 111.217 169.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.428 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 15.0 ttp180 -129.68 153.36 48.22 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.327 1.451 . . . . 0.0 111.269 178.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 21.9 mmt -120.3 11.41 11.5 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 115.196 1.554 . . . . 0.0 115.196 179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.496 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.253 69.9 m 46.16 -93.96 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 127.347 2.259 . . . . 0.0 115.227 -176.856 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.67 95.45 4.35 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 121.497 1.953 . . . . 0.0 109.89 -178.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -77.54 -41.16 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 123.727 0.811 . . . . 0.0 110.745 178.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.53 -0.73 39.76 Favored Glycine 0 CA--C 1.544 1.889 0 C-N-CA 125.704 1.621 . . . . 0.0 114.077 -170.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -132.22 -67.93 0.64 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 125.158 1.383 . . . . 0.0 109.249 170.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.34 34.09 22.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.319 1.448 . . . . 0.0 114.329 -177.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.98 164.36 1.23 Allowed 'General case' 0 C--O 1.217 -0.648 0 C-N-CA 125.76 1.624 . . . . 0.0 111.83 175.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -36.5 -42.67 0.36 Allowed 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.23 -32.57 58.98 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 120.179 -1.575 . . . . 0.0 113.733 175.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -92.47 8.39 38.93 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 128.223 2.609 . . . . 0.0 112.974 174.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -74.79 -8.87 57.73 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.295 1.438 . . . . 0.0 114.1 -173.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.418 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -44.97 -28.14 0.63 Allowed 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 124.819 1.247 . . . . 0.0 114.258 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.496 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.7 tptp -49.95 -69.71 0.11 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.125 1.77 . . . . 0.0 113.766 163.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.481 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.34 -36.93 79.98 Favored 'General case' 0 C--O 1.221 -0.408 0 C-N-CA 127.557 2.343 . . . . 0.0 109.783 -172.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.418 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -48.74 -50.05 35.49 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 129.316 3.046 . . . . 0.0 111.148 165.832 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.32 -41.86 60.42 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 117.619 -1.632 . . . . 0.0 108.817 -175.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -63.0 -25.97 68.64 Favored 'General case' 0 C--N 1.321 -0.645 0 C-N-CA 126.303 1.841 . . . . 0.0 114.867 -178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 pt -88.75 -27.98 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 CA-C-N 118.838 0.745 . . . . 0.0 112.925 168.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 55.1 tp -70.59 -30.77 67.54 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.054 0.942 . . . . 0.0 112.732 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.2 pt -82.02 -175.32 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 125.076 1.35 . . . . 0.0 113.625 175.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -63.39 -32.03 73.36 Favored 'General case' 0 CA--C 1.549 0.913 0 N-CA-C 115.852 1.797 . . . . 0.0 115.852 -171.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -142.84 149.49 38.64 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.726 1.21 . . . . 0.0 112.64 179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -72.73 78.69 1.11 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.56 1.944 . . . . 0.0 112.539 -172.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.426 ' CE2' HD21 ' B' ' 34' ' ' LEU . 24.1 t80 -66.63 -43.67 84.04 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 -158.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -32.2 -47.44 0.15 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 127.451 2.301 . . . . 0.0 115.731 172.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.475 HG21 ' CG2' ' A' ' 32' ' ' ILE . 32.4 mm -74.97 -27.67 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 CA-C-N 120.296 1.407 . . . . 0.0 113.945 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -58.67 -38.9 79.18 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.813 -1.179 . . . . 0.0 110.307 168.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.426 HD21 ' CE2' ' B' ' 30' ' ' TYR . 12.3 mt -58.92 -57.88 11.11 Favored 'General case' 0 C--N 1.345 0.37 0 CA-C-O 118.147 -0.93 . . . . 0.0 110.581 168.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -45.34 -52.36 9.94 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.499 1.52 . . . . 0.0 112.109 -177.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 22.9 t -68.1 -47.96 66.81 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 119.409 1.004 . . . . 0.0 111.16 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -56.4 -35.58 67.93 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-O 122.55 1.167 . . . . 0.0 110.399 -179.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -76.04 -51.09 13.04 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 127.658 2.383 . . . . 0.0 112.377 -174.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.5 pp -56.71 -38.91 60.3 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 CA-C-N 118.926 0.785 . . . . 0.0 110.715 176.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -73.0 -30.41 63.76 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 113.375 0.879 . . . . 0.0 113.375 175.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -63.71 -27.47 69.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 120.408 1.458 . . . . 0.0 111.203 172.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.84 -48.07 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 O-C-N 120.946 -1.096 . . . . 0.0 110.852 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -69.13 -45.57 69.79 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.398 1.079 . . . . 0.0 113.795 -171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.6 t -119.07 -32.06 4.55 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.96 1.304 . . . . 0.0 112.766 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.6 -13.57 74.63 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.083 -1.01 . . . . 0.0 114.058 171.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.314 81.7 p 54.94 37.37 28.67 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 127.138 2.175 . . . . 0.0 115.293 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.29 142.14 58.36 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.602 -0.686 . . . . 0.0 110.274 159.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -160.99 137.55 8.58 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.496 1.118 . . . . 0.0 111.771 172.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 17.3 m -141.34 -158.37 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 126.66 1.984 . . . . 0.0 109.329 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -55.97 -174.88 0.01 OUTLIER 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.71 1.604 . . . . 0.0 113.635 160.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.26 -7.67 2.05 Favored Glycine 0 N--CA 1.471 1.004 0 O-C-N 119.948 -1.72 . . . . 0.0 116.391 175.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 98.0 m -49.2 -58.28 5.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 120.174 1.987 . . . . 0.0 110.985 171.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.8 t -66.66 -42.46 86.56 Favored 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 119.95 1.25 . . . . 0.0 112.532 -176.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -48.25 -53.43 17.14 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.387 1.075 . . . . 0.0 111.238 170.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.472 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.9 tptt -59.7 -42.68 93.54 Favored 'General case' 0 N--CA 1.435 -1.212 0 C-N-CA 125.784 1.634 . . . . 0.0 112.932 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.411 ' O ' HD23 ' B' ' 60' ' ' LEU . 1.5 mptm? -52.66 -52.97 53.4 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 121.066 1.757 . . . . 0.0 111.503 169.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 64.8 mt -68.74 -36.08 77.94 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 120.184 -1.573 . . . . 0.0 112.635 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.472 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.3 p -84.85 -27.45 6.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 C-N-CA 123.53 0.732 . . . . 0.0 112.445 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.3 t -70.06 -34.09 72.76 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 120.737 -1.227 . . . . 0.0 111.76 174.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.411 HD23 ' O ' ' B' ' 56' ' ' LYS . 1.6 mm? -45.77 -59.13 2.96 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.465 0.706 . . . . 0.0 111.022 175.092 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.4 -36.46 74.07 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 119.338 -0.363 . . . . 0.0 111.723 177.584 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -56.98 -19.37 17.84 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.205 0.602 . . . . 0.0 112.508 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.35 -34.44 5.62 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 164.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -64.12 -49.75 70.98 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 120.072 1.305 . . . . 0.0 113.703 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -72.78 -35.29 67.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.592 1.157 . . . . 0.0 112.596 -175.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -89.51 -58.26 2.59 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 115.684 1.735 . . . . 0.0 115.684 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -102.25 -44.48 5.4 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -161.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.087 2.155 . . . . 0.0 112.428 -175.751 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.631 0 N-CA-C 111.882 -0.487 . . . . 0.0 111.882 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 t 59.88 177.41 0.09 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.942 1.697 . . . . 0.0 114.58 -173.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -154.34 173.77 15.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.021 1.728 . . . . 0.0 111.76 -176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.5 mmt -83.29 152.37 25.16 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.564 1.146 . . . . 0.0 111.635 165.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.458 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.3 ttp180 -128.82 155.21 45.54 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 126.245 1.818 . . . . 0.0 111.498 -179.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.2 mmm -120.77 7.01 10.44 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 115.838 1.792 . . . . 0.0 115.838 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.549 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.264 74.8 m 48.14 -86.89 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.54 2.336 . . . . 0.0 115.172 -176.694 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mt -128.56 97.87 4.84 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 121.363 1.892 . . . . 0.0 110.471 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -80.49 -38.03 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 123.828 0.851 . . . . 0.0 110.776 176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.3 7.51 54.37 Favored Glycine 0 CA--C 1.544 1.901 0 C-N-CA 124.596 1.093 . . . . 0.0 114.013 -170.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -140.7 -64.26 0.46 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.356 1.462 . . . . 0.0 110.906 168.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.7 33.47 13.98 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.501 1.52 . . . . 0.0 114.385 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -63.19 167.83 4.76 Favored 'General case' 0 C--O 1.216 -0.7 0 C-N-CA 125.479 1.512 . . . . 0.0 111.305 177.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -33.52 -45.36 0.16 Allowed 'General case' 0 N--CA 1.487 1.422 0 N-CA-C 117.66 2.467 . . . . 0.0 117.66 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -77.14 -30.41 55.09 Favored 'General case' 0 N--CA 1.484 1.242 0 O-C-N 120.144 -1.597 . . . . 0.0 113.88 176.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.1 mm-40 -95.72 7.2 46.98 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 128.183 2.593 . . . . 0.0 113.154 175.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.69 -12.59 61.59 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.881 1.672 . . . . 0.0 113.95 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.465 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -44.44 -28.89 0.61 Allowed 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.3 1.222 . . . . 0.0 114.3 -173.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 1.8 tptp -49.48 -70.16 0.1 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.835 1.654 . . . . 0.0 113.607 164.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.584 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -67.92 -36.57 80.4 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.321 2.248 . . . . 0.0 109.794 -173.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -50.87 -47.98 60.36 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 128.974 2.91 . . . . 0.0 111.243 166.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 58.0 tp -73.84 -42.0 61.46 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.716 -1.593 . . . . 0.0 108.813 -177.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.14 -15.68 57.59 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.787 2.035 . . . . 0.0 115.568 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.6 pt -100.27 -26.88 3.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.222 1.009 . . . . 0.0 113.427 165.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.9 tp -71.26 -30.24 66.07 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.856 1.262 . . . . 0.0 112.794 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.0 pt -75.79 -176.78 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.778 1.231 . . . . 0.0 113.573 175.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -62.32 -28.27 69.62 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.693 1.738 . . . . 0.0 115.693 -171.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 73.1 t60 -147.42 151.1 35.9 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.845 1.258 . . . . 0.0 112.207 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -65.88 144.15 56.99 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.77 1.228 . . . . 0.0 113.077 -176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -136.65 -137.9 0.15 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 124.245 1.018 . . . . 0.0 112.419 -176.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 50.62 -43.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 129.718 3.207 . . . . 0.0 117.15 -155.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -72.12 -30.5 36.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 C-N-CA 124.765 1.226 . . . . 0.0 113.713 -171.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -54.23 -41.61 68.91 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 121.826 -0.546 . . . . 0.0 110.364 167.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 13.2 mt -64.41 -48.82 73.93 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.187 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.77 -53.39 32.18 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 119.736 1.153 . . . . 0.0 111.818 -179.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.1 t -68.4 -38.92 81.73 Favored 'General case' 0 C--O 1.246 0.887 0 O-C-N 121.516 -0.74 . . . . 0.0 112.43 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.24 -41.96 97.78 Favored 'General case' 0 CA--C 1.547 0.861 0 CA-C-O 121.729 0.776 . . . . 0.0 110.688 175.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -68.16 -54.01 21.02 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 126.967 2.107 . . . . 0.0 110.698 -175.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.32 -42.68 84.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 CA-C-O 119.222 -0.418 . . . . 0.0 110.921 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.59 -27.41 62.16 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 119.065 -1.054 . . . . 0.0 113.607 176.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -69.05 -24.34 64.17 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 119.757 1.162 . . . . 0.0 111.234 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.82 -46.99 17.43 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 O-C-N 121.002 -1.061 . . . . 0.0 110.305 171.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.54 -48.32 72.85 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.693 0.998 . . . . 0.0 113.693 -173.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -119.83 -32.62 4.2 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.723 1.209 . . . . 0.0 112.942 -178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.88 -13.91 64.7 Favored Glycine 0 CA--C 1.54 1.598 0 O-C-N 121.248 -0.908 . . . . 0.0 114.093 173.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.365 3.5 t 55.24 37.87 29.54 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 127.324 2.25 . . . . 0.0 115.024 175.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -60.36 144.85 49.81 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 120.994 -1.066 . . . . 0.0 110.577 161.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -148.32 135.63 20.42 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.517 1.127 . . . . 0.0 111.74 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.9 p -165.74 170.34 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 126.9 2.08 . . . . 0.0 109.534 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.79 -169.93 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.519 1.927 . . . . 0.0 113.248 161.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.53 -6.55 0.19 Allowed Glycine 0 N--CA 1.475 1.291 0 N-CA-C 118.37 2.108 . . . . 0.0 118.37 -176.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.9 m -48.7 -66.56 0.38 Allowed 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 119.776 1.788 . . . . 0.0 111.37 170.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -67.88 -33.3 74.47 Favored 'General case' 0 N--CA 1.478 0.94 0 O-C-N 121.137 -0.977 . . . . 0.0 113.08 -175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -53.44 -54.64 34.05 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.208 1.003 . . . . 0.0 109.988 171.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.541 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.7 tptt -63.85 -43.01 97.4 Favored 'General case' 0 N--CA 1.437 -1.125 0 C-N-CA 125.089 1.355 . . . . 0.0 112.967 -178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' O ' HG22 ' A' ' 59' ' ' THR . 12.6 mptt -55.08 -49.44 71.66 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.446 1.475 . . . . 0.0 111.429 171.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.4 tt -69.61 -40.21 76.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 119.838 -1.789 . . . . 0.0 112.449 -176.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.541 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.4 p -80.63 -25.2 11.12 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.5 0 C-N-CA 123.255 0.622 . . . . 0.0 111.923 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.5 t -71.65 -34.73 70.01 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 120.775 -1.203 . . . . 0.0 112.157 172.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -48.1 -55.13 10.99 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 118.924 -0.56 . . . . 0.0 110.388 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.0 -36.58 75.25 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 174.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -54.25 -23.79 16.21 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 117.98 -1.009 . . . . 0.0 112.504 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.6 mmt180 -117.49 -26.18 6.73 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 116.9 2.185 . . . . 0.0 116.9 166.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -66.14 -47.29 74.57 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 121.858 2.117 . . . . 0.0 112.861 176.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.91 -36.22 64.72 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.066 1.346 . . . . 0.0 112.325 -176.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -89.68 -59.67 2.14 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -179.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -103.27 -69.77 0.78 Allowed 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -163.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.865 2.066 . . . . 0.0 113.282 -169.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.618 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -86.98 108.27 18.76 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.899 1.28 . . . . 0.0 111.728 -176.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -129.23 87.04 2.5 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 129.656 3.182 . . . . 0.0 108.835 -4.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -75.51 162.91 27.91 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.7 0.8 . . . . 0.0 111.54 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.4 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 14.7 ttp180 -133.5 147.38 51.62 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.579 1.152 . . . . 0.0 111.823 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.6 mmt -123.05 9.21 9.29 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 115.574 1.694 . . . . 0.0 115.574 -179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.48 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 58.2 m 51.16 -90.87 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 127.425 2.29 . . . . 0.0 114.581 -176.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mt -130.0 96.13 4.12 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 121.435 1.925 . . . . 0.0 110.287 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -74.49 -35.18 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 124.234 1.014 . . . . 0.0 110.588 176.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.08 -1.22 57.59 Favored Glycine 0 CA--C 1.542 1.723 0 C-N-CA 125.262 1.411 . . . . 0.0 113.644 -170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.7 -71.33 0.58 Allowed 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 125.447 1.499 . . . . 0.0 109.065 172.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.21 33.25 23.03 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.299 1.44 . . . . 0.0 114.286 -177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -56.96 165.02 1.36 Allowed 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 126.193 1.797 . . . . 0.0 112.013 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -37.14 -42.66 0.45 Allowed 'General case' 0 N--CA 1.487 1.389 0 N-CA-C 116.967 2.21 . . . . 0.0 116.967 -176.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -76.95 -31.7 56.79 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.192 -1.567 . . . . 0.0 113.798 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 44.9 mm-40 -93.22 8.41 40.34 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 128.074 2.549 . . . . 0.0 113.18 174.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -72.31 -10.98 60.49 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.346 1.459 . . . . 0.0 113.658 -173.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.437 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -43.86 -31.05 0.76 Allowed 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 124.733 1.213 . . . . 0.0 113.574 -175.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.48 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.4 tptp -47.79 -67.94 0.23 Allowed 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.008 1.323 . . . . 0.0 113.512 165.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.507 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -67.33 -37.53 83.43 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.367 2.267 . . . . 0.0 109.773 -173.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.437 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -53.39 -47.58 69.4 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 129.478 3.111 . . . . 0.0 111.247 169.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.408 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.7 tm? -72.95 -45.8 56.05 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -175.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 72.7 m-20 -59.01 -35.12 72.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 126.241 1.816 . . . . 0.0 114.655 -179.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 pt -82.2 -28.97 9.31 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 CA-C-N 118.872 0.76 . . . . 0.0 112.54 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.8 tp -73.95 -30.94 62.81 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.404 0.89 . . . . 0.0 113.404 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 23.7 pt -78.47 -172.86 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 124.513 1.125 . . . . 0.0 113.535 177.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -47.2 -44.22 22.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 127.58 2.352 . . . . 0.0 114.777 -171.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -155.43 160.19 40.44 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.613 1.565 . . . . 0.0 111.309 175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -57.91 146.3 32.63 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.817 1.247 . . . . 0.0 112.347 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' B' ' 34' ' ' LEU . 54.2 t80 -138.9 -35.05 0.58 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -167.14 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -40.88 -44.43 2.29 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.373 1.469 . . . . 0.0 112.957 164.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.37 -43.91 97.52 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.635 0 C-N-CA 124.659 1.184 . . . . 0.0 112.11 176.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 tt0 -57.39 -38.52 74.39 Favored 'General case' 0 C--O 1.239 0.511 0 O-C-N 121.641 -0.662 . . . . 0.0 110.425 174.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' B' ' 30' ' ' TYR . 5.9 mt -62.0 -45.58 92.96 Favored 'General case' 0 C--O 1.221 -0.403 0 CA-C-O 117.481 -1.247 . . . . 0.0 110.487 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 33.7 tp -54.36 -55.79 25.07 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 120.163 1.347 . . . . 0.0 112.054 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.3 t -66.52 -37.87 85.96 Favored 'General case' 0 C--O 1.247 0.947 0 CA-C-N 119.316 0.962 . . . . 0.0 111.795 -175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.9 t -61.84 -43.91 97.9 Favored 'General case' 0 CA--C 1.548 0.886 0 CA-C-O 121.799 0.809 . . . . 0.0 110.766 174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -66.68 -53.61 31.94 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.366 1.866 . . . . 0.0 110.853 -176.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.63 -40.19 81.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 O-C-N 121.774 -0.579 . . . . 0.0 111.708 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.63 -26.25 62.48 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.636 -1.226 . . . . 0.0 113.277 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -66.91 -25.79 66.55 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 119.646 1.112 . . . . 0.0 111.799 171.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.15 -50.04 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 O-C-N 120.557 -1.339 . . . . 0.0 110.331 169.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -67.35 -45.62 75.81 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.805 1.039 . . . . 0.0 113.805 -170.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -121.4 -27.86 4.74 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.605 1.162 . . . . 0.0 113.279 -177.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.79 -20.58 76.06 Favored Glycine 0 CA--C 1.538 1.512 0 CA-C-N 119.406 1.003 . . . . 0.0 113.105 170.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.4 m 59.39 40.08 21.37 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.238 1.815 . . . . 0.0 113.505 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -64.42 129.88 41.61 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 121.193 -0.942 . . . . 0.0 109.74 162.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -161.93 118.47 2.08 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.714 1.205 . . . . 0.0 110.036 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 18.0 m -137.53 -155.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 C-N-CA 126.015 1.726 . . . . 0.0 109.455 176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -55.0 -179.51 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.749 1.219 . . . . 0.0 113.01 159.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.51 -7.08 1.25 Allowed Glycine 0 N--CA 1.472 1.086 0 O-C-N 120.003 -1.686 . . . . 0.0 116.992 178.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 97.0 m -43.23 -67.09 0.3 Allowed 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 120.311 2.055 . . . . 0.0 112.296 170.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 10.4 t -67.56 -36.03 80.16 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 -173.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -53.05 -54.12 40.07 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 124.776 1.23 . . . . 0.0 110.706 170.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.453 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.0 tptt -61.99 -44.09 97.47 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 125.651 1.58 . . . . 0.0 112.444 -177.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.7 mptt -54.04 -47.17 71.88 Favored 'General case' 0 N--CA 1.485 1.318 0 CA-C-N 120.488 1.495 . . . . 0.0 111.729 171.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -71.86 -37.38 70.24 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 120.314 -1.491 . . . . 0.0 113.167 -176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.453 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.4 p -84.99 -25.64 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 123.189 0.596 . . . . 0.0 112.569 178.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.7 t -70.1 -34.23 72.87 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 120.506 -1.371 . . . . 0.0 111.486 172.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.78 -59.54 2.73 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.185 173.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.16 -37.69 84.19 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 178.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -58.16 -19.2 31.09 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 123.213 0.605 . . . . 0.0 112.389 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.44 -33.52 5.56 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 163.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -64.93 -48.82 72.76 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 119.974 1.261 . . . . 0.0 113.688 -179.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 mmm180 -72.5 -34.14 67.44 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.862 1.265 . . . . 0.0 112.503 -177.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -92.31 -57.79 2.58 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -159.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 15.4 m120 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 124.901 1.28 . . . . 0.0 113.186 -170.435 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -75.24 -17.29 60.36 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.671 1.36 . . . . 0.0 114.671 -174.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -128.76 148.35 50.85 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.83 1.652 . . . . 0.0 111.174 -176.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.1 mtt -126.03 168.07 14.46 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.032 1.733 . . . . 0.0 111.121 -172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 0.9 OUTLIER -133.18 150.55 51.99 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.311 1.045 . . . . 0.0 113.579 -174.224 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -123.17 12.88 9.6 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 114.495 1.295 . . . . 0.0 114.495 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 49.2 m 47.4 -87.93 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 128.051 2.54 . . . . 0.0 115.385 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.34 114.28 12.8 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 122.289 2.313 . . . . 0.0 113.338 170.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -92.04 -35.25 6.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.575 1.55 . . . . 0.0 111.641 -176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.97 -1.35 35.65 Favored Glycine 0 CA--C 1.542 1.757 0 C-N-CA 125.102 1.334 . . . . 0.0 115.934 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -136.59 -51.27 0.69 Allowed 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 119.181 1.491 . . . . 0.0 109.976 161.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.31 36.47 16.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 125.36 1.464 . . . . 0.0 113.315 -177.329 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.03 166.69 15.39 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.279 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -26.51 -50.22 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 117.719 2.488 . . . . 0.0 117.719 -176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -74.54 -29.55 61.41 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.3 -1.5 . . . . 0.0 114.307 177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 70.1 mt-10 -95.99 9.29 41.22 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.814 2.846 . . . . 0.0 113.208 173.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -76.03 -8.7 57.57 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 120.531 -1.356 . . . . 0.0 113.46 -171.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.6 pm0 -42.11 -32.35 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 125.926 1.691 . . . . 0.0 113.577 -177.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 tptp -50.35 -68.75 0.15 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 125.718 1.607 . . . . 0.0 112.774 166.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.52 -35.83 75.86 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 127.479 2.311 . . . . 0.0 109.787 -172.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -54.9 -53.34 56.74 Favored 'General case' 0 N--CA 1.463 0.186 0 C-N-CA 125.08 1.352 . . . . 0.0 108.44 167.263 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -68.16 -42.37 80.13 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 -162.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -59.96 -30.35 69.04 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 129.435 3.094 . . . . 0.0 116.838 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 19.2 pt -83.0 -28.74 8.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 CA-C-N 120.108 1.322 . . . . 0.0 112.478 168.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -77.19 -34.49 56.2 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.285 1.034 . . . . 0.0 112.2 -171.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.489 HG13 ' H ' ' A' ' 27' ' ' ASN . 10.3 pt -57.94 -54.0 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 125.713 1.605 . . . . 0.0 114.049 -179.106 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.489 ' H ' HG13 ' A' ' 26' ' ' ILE . 4.3 p30 -151.04 -66.05 0.19 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.307 1.843 . . . . 0.0 110.283 179.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -158.47 -38.16 0.06 Allowed 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 168.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -155.1 146.33 22.83 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.659 1.118 . . . . 0.0 112.771 -170.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.547 ' CE2' HD21 ' A' ' 34' ' ' LEU . 59.2 t80 -160.93 -36.11 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.568 1.147 . . . . 0.0 113.948 172.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.33 -40.22 3.48 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.502 1.521 . . . . 0.0 113.123 167.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.5 HG21 HG21 ' B' ' 32' ' ' ILE . 8.9 mm -72.03 -34.59 50.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.56 -44.37 65.81 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 166.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.547 HD21 ' CE2' ' A' ' 30' ' ' TYR . 2.9 mt -62.88 -48.35 79.39 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.966 174.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.447 ' C ' HD23 ' A' ' 35' ' ' LEU . 4.8 tt -53.49 -56.05 20.19 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 119.815 1.189 . . . . 0.0 110.498 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 23.1 t -66.51 -38.6 87.57 Favored 'General case' 0 C--O 1.247 0.925 0 CA-C-N 118.841 0.746 . . . . 0.0 111.526 -173.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.42 -42.74 99.67 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-O 121.371 0.605 . . . . 0.0 110.745 174.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -67.0 -53.44 31.41 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.212 1.805 . . . . 0.0 111.018 -176.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -58.59 -42.61 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.222 0 O-C-N 121.766 -0.584 . . . . 0.0 111.259 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.68 -25.26 61.19 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 118.86 -1.136 . . . . 0.0 113.663 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -65.0 -32.64 74.46 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 119.391 0.996 . . . . 0.0 110.972 171.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.11 -45.28 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 120.641 -1.287 . . . . 0.0 110.222 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -66.28 -47.52 73.38 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -174.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.1 t -124.05 -30.53 3.48 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.401 1.081 . . . . 0.0 113.546 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.23 -11.02 58.31 Favored Glycine 0 CA--C 1.541 1.678 0 O-C-N 121.036 -1.04 . . . . 0.0 114.338 172.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.361 3.6 t 55.71 38.06 29.64 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 127.456 2.302 . . . . 0.0 114.923 174.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.9 mmmm -61.27 144.82 53.16 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.157 0.983 . . . . 0.0 110.454 164.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -148.0 125.77 11.89 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.967 0.907 . . . . 0.0 111.943 -175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.4 p -164.32 170.22 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 127.53 2.332 . . . . 0.0 109.015 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -61.17 -171.53 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.813 1.645 . . . . 0.0 112.061 165.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.44 0.2 Allowed Glycine 0 N--CA 1.475 1.263 0 N-CA-C 118.037 1.975 . . . . 0.0 118.037 -175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.4 m -47.23 -66.0 0.47 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 119.689 1.745 . . . . 0.0 111.401 170.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.2 t -69.98 -34.6 73.57 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.235 -0.916 . . . . 0.0 113.097 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -51.38 -54.97 21.23 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.519 1.128 . . . . 0.0 110.01 169.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.4 tptt -61.82 -43.66 98.39 Favored 'General case' 0 N--CA 1.433 -1.284 0 CA-C-O 117.186 -1.387 . . . . 0.0 112.306 -179.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.558 ' O ' HG22 ' A' ' 59' ' ' THR . 12.3 mptt -54.98 -50.23 69.49 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.7 1.591 . . . . 0.0 111.605 173.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.8 pp -82.37 -20.22 37.64 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 119.535 -1.978 . . . . 0.0 115.102 -173.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.5 p -84.8 -27.01 6.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 118.625 0.648 . . . . 0.0 111.843 170.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.558 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.5 t -69.73 -31.66 69.77 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 120.69 -1.256 . . . . 0.0 112.276 171.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -46.6 -55.54 7.47 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.2 -38.32 78.56 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 174.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -56.48 -18.56 11.81 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -116.86 -32.46 5.1 Favored 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 161.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.75 -45.84 92.77 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.299 1.863 . . . . 0.0 112.992 177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -75.95 -38.27 57.74 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 125.275 1.43 . . . . 0.0 112.651 -175.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -95.24 -57.52 2.39 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.871 1.804 . . . . 0.0 115.871 -174.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.36 -40.59 6.66 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -158.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.8 m120 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 125.118 1.367 . . . . 0.0 113.045 -173.502 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.49 -0.644 . . . . 0.0 111.49 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -147.15 164.77 32.04 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.434 1.494 . . . . 0.0 112.266 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -150.88 165.0 34.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.262 1.425 . . . . 0.0 111.571 -178.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -70.75 149.19 47.16 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 124.522 1.129 . . . . 0.0 111.597 169.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 21.6 ttp180 -123.67 153.93 40.1 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 126.606 1.962 . . . . 0.0 110.7 176.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.5 mmt -122.59 11.7 9.89 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.456 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.265 62.5 m 50.43 -85.97 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.501 2.321 . . . . 0.0 115.719 -177.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -140.11 110.16 6.5 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 122.613 2.46 . . . . 0.0 113.416 170.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -86.4 -35.32 8.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 126.122 1.769 . . . . 0.0 111.941 -175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.87 -1.36 31.82 Favored Glycine 0 CA--C 1.54 1.644 0 C-N-CA 124.934 1.254 . . . . 0.0 115.5 -173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -140.79 -59.56 0.51 Allowed 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.754 1.221 . . . . 0.0 111.313 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.04 34.93 18.2 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.58 1.552 . . . . 0.0 114.864 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.84 166.08 9.62 Favored 'General case' 0 C--O 1.216 -0.668 0 CA-C-O 118.783 -0.627 . . . . 0.0 111.747 176.003 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.0 t -30.2 -47.01 0.08 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -74.03 -30.67 62.54 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 120.374 -1.454 . . . . 0.0 114.212 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -98.78 12.07 36.72 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.893 2.877 . . . . 0.0 112.726 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -80.34 -8.56 59.55 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 120.839 -1.163 . . . . 0.0 113.755 -171.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -41.85 -30.19 0.24 Allowed 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.869 1.668 . . . . 0.0 114.4 -177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -52.34 -67.24 0.27 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.708 1.603 . . . . 0.0 112.654 166.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.463 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.52 -36.63 79.14 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 128.002 2.521 . . . . 0.0 109.391 -173.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.17 -53.62 53.6 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.939 1.296 . . . . 0.0 108.802 167.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -68.91 -45.7 70.18 Favored 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 -160.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.413 HD21 ' HE2' ' B' ' 19' ' ' LYS . 67.3 m-20 -52.74 -46.06 67.27 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 129.019 2.928 . . . . 0.0 115.975 174.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.02 -28.9 34.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 CA-C-N 118.908 0.776 . . . . 0.0 111.605 175.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 32.2 tp -77.4 -32.38 54.77 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.027 0.931 . . . . 0.0 112.914 -175.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.47 HG13 ' H ' ' B' ' 27' ' ' ASN . 14.2 pt -77.34 -65.12 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -172.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.47 ' H ' HG13 ' B' ' 26' ' ' ILE . 70.5 m-80 -141.74 11.5 2.05 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 127.115 2.166 . . . . 0.0 111.584 -175.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 66.33 151.85 0.06 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 128.854 2.861 . . . . 0.0 116.602 -175.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 54.6 26.67 7.61 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 116.983 2.216 . . . . 0.0 116.983 165.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.4 t80 -73.55 -29.96 62.77 Favored 'General case' 0 N--CA 1.475 0.78 0 O-C-N 120.043 -1.661 . . . . 0.0 115.303 -171.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.35 -31.77 35.15 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.334 -1.479 . . . . 0.0 113.848 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.5 HG21 HG21 ' A' ' 32' ' ' ILE . 1.8 mp -64.85 -34.68 71.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.718 1.207 . . . . 0.0 111.868 178.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -54.29 -49.31 69.92 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.445 1.098 . . . . 0.0 109.189 174.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.44 -47.46 86.03 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-O 117.041 -1.457 . . . . 0.0 111.141 171.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -52.92 -53.82 43.88 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 120.913 1.688 . . . . 0.0 111.745 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 34.9 t -70.9 -35.67 72.39 Favored 'General case' 0 C--O 1.247 0.946 0 CA-C-N 119.434 1.016 . . . . 0.0 111.646 -176.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -40.6 97.87 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-O 121.585 0.707 . . . . 0.0 111.051 173.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.84 -53.67 20.1 Favored 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 126.749 2.02 . . . . 0.0 110.497 -176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -57.77 -41.82 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 118.484 0.584 . . . . 0.0 111.5 179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.16 -25.39 62.52 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.645 174.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -66.33 -27.69 68.09 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.771 1.169 . . . . 0.0 112.215 171.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.01 -51.79 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 O-C-N 120.468 -1.395 . . . . 0.0 109.975 168.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -68.95 -40.29 79.04 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -167.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.8 t -124.7 -28.67 3.52 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.514 1.125 . . . . 0.0 113.519 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.56 -19.18 72.64 Favored Glycine 0 CA--C 1.537 1.41 0 CA-C-N 119.73 1.15 . . . . 0.0 112.994 173.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.56 45.99 18.48 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.47 1.908 . . . . 0.0 113.368 178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -57.65 140.83 50.23 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.481 -0.762 . . . . 0.0 110.6 163.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -152.99 115.42 4.45 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.084 1.354 . . . . 0.0 110.1 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.52 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.68 164.07 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.321 1.848 . . . . 0.0 109.489 -177.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -76.24 60.83 1.55 Allowed 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 128.111 2.564 . . . . 0.0 114.505 -168.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 84.15 -7.86 69.69 Favored Glycine 0 N--CA 1.468 0.806 0 C-N-CA 127.448 2.451 . . . . 0.0 115.149 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.4 m -60.22 -61.08 2.87 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.057 1.928 . . . . 0.0 110.393 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.52 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.0 t -61.83 -36.29 80.76 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.975 -1.078 . . . . 0.0 113.201 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 74.3 m-85 -55.41 -55.74 28.24 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 124.887 1.275 . . . . 0.0 111.107 170.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.519 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.3 tptt -60.72 -41.43 95.27 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 125.229 1.411 . . . . 0.0 112.556 -178.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.88 98.46 Favored 'General case' 0 N--CA 1.485 1.285 0 CA-C-N 120.697 1.59 . . . . 0.0 111.929 174.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.1 tt -66.83 -42.97 84.96 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 120.024 -1.672 . . . . 0.0 112.616 178.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.4 p -82.69 -24.38 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 123.221 0.608 . . . . 0.0 112.218 -177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 3.0 t -72.37 -34.66 68.12 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.892 -1.13 . . . . 0.0 112.345 173.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -46.95 -56.77 5.81 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.291 171.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -37.52 87.36 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 118.849 0.75 . . . . 0.0 112.339 175.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -58.08 -19.41 31.76 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.917 0.887 . . . . 0.0 113.2 -178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . 0.252 24.4 mtt180 -117.18 -32.23 5.07 Favored 'General case' 0 N--CA 1.487 1.417 0 N-CA-C 117.57 2.433 . . . . 0.0 117.57 158.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -59.2 -46.66 87.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 121.036 1.743 . . . . 0.0 113.605 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -75.65 -38.22 59.02 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.081 1.352 . . . . 0.0 112.719 -177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -87.76 -55.87 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.587 1.555 . . . . 0.0 115.078 -175.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -104.29 -78.17 0.56 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.395 1.878 . . . . 0.0 113.443 -168.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.531 2.332 . . . . 0.0 112.435 -173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.614 0 N-CA-C 111.697 -0.561 . . . . 0.0 111.697 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -93.0 -9.01 41.39 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 114.989 1.478 . . . . 0.0 114.989 -171.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -129.82 25.85 5.29 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.171 1.389 . . . . 0.0 112.76 -170.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 88.1 mmm -57.26 114.12 2.04 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.111 0.964 . . . . 0.0 112.151 -169.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.48 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 3.8 ttp180 -71.29 152.69 43.02 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.846 1.258 . . . . 0.0 112.716 -169.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.6 mmt -120.65 8.04 10.6 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.489 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 51.1 m 50.93 -91.67 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.421 2.288 . . . . 0.0 114.997 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -131.96 96.36 3.9 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 121.395 1.907 . . . . 0.0 111.044 -178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -81.4 -33.84 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 125.068 1.347 . . . . 0.0 111.477 -179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.76 1.81 52.58 Favored Glycine 0 CA--C 1.543 1.783 0 C-N-CA 125.542 1.544 . . . . 0.0 115.425 -176.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -135.79 -50.82 0.72 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.259 1.53 . . . . 0.0 110.072 160.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.73 36.61 18.13 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.459 1.504 . . . . 0.0 113.473 -178.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.65 168.28 13.44 Favored 'General case' 0 C--O 1.215 -0.725 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.49 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.9 t -28.11 -49.33 0.06 Allowed 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 117.646 2.462 . . . . 0.0 117.646 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -76.27 -29.04 57.29 Favored 'General case' 0 N--CA 1.482 1.152 0 O-C-N 120.293 -1.504 . . . . 0.0 114.273 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 64.9 mt-10 -94.62 7.96 43.94 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 128.628 2.771 . . . . 0.0 113.188 173.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -75.51 -9.49 58.62 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.725 -1.235 . . . . 0.0 113.514 -170.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -45.0 -27.87 0.6 Allowed 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.173 1.389 . . . . 0.0 113.845 -176.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.489 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -49.29 -71.74 0.06 Allowed 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.808 1.643 . . . . 0.0 113.467 163.123 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.518 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.1 mm? -67.67 -36.62 81.05 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.531 2.332 . . . . 0.0 109.698 -172.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -51.39 -48.96 62.42 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 129.944 3.297 . . . . 0.0 111.306 166.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.8 tp -73.88 -41.38 62.27 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 117.554 -1.659 . . . . 0.0 107.927 -175.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -62.57 -34.29 76.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.332 1.853 . . . . 0.0 114.396 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.4 pt -80.22 -28.45 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 119.317 0.962 . . . . 0.0 112.737 169.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -72.45 -32.92 66.67 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.566 0.746 . . . . 0.0 112.582 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 27.4 pt -81.69 -173.43 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.059 1.343 . . . . 0.0 113.653 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -64.56 -28.64 69.78 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 -170.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -148.08 148.15 30.33 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.431 1.092 . . . . 0.0 112.471 179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -73.97 73.84 1.67 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 126.565 1.946 . . . . 0.0 112.376 -172.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.498 ' CE2' HD21 ' A' ' 34' ' ' LEU . 55.8 t80 -60.25 -30.39 69.4 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 116.225 1.935 . . . . 0.0 116.225 -165.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -45.06 -41.52 7.7 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.444 -1.41 . . . . 0.0 113.353 168.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -69.01 -39.72 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 O-C-N 121.252 -0.905 . . . . 0.0 111.489 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.78 -39.32 68.29 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 121.687 -0.633 . . . . 0.0 110.478 170.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.498 HD21 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mt -64.45 -46.98 80.76 Favored 'General case' 0 C--O 1.22 -0.477 0 CA-C-O 117.195 -1.383 . . . . 0.0 110.788 173.119 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 40.4 tp -51.59 -56.12 15.34 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 120.409 1.459 . . . . 0.0 111.642 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -67.08 -38.89 86.52 Favored 'General case' 0 C--O 1.246 0.883 0 CA-C-O 121.381 0.61 . . . . 0.0 111.804 -175.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -60.06 -44.79 94.47 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-O 121.565 0.697 . . . . 0.0 110.96 174.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -66.93 -55.49 14.37 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 126.869 2.068 . . . . 0.0 110.741 -174.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.64 -43.15 82.95 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.882 -178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.49 -29.16 64.5 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 118.574 -1.25 . . . . 0.0 113.643 177.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -70.06 -23.18 63.04 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.191 -0.943 . . . . 0.0 111.532 177.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.55 -46.52 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 O-C-N 120.909 -1.119 . . . . 0.0 109.955 172.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -66.57 -47.83 71.56 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.256 1.022 . . . . 0.0 113.705 -173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -121.75 -28.93 4.43 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.657 1.183 . . . . 0.0 113.304 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.93 -19.79 75.61 Favored Glycine 0 CA--C 1.538 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 113.598 171.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 56.97 45.06 21.87 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 126.533 1.933 . . . . 0.0 114.048 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -57.48 143.32 41.03 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.277 -0.889 . . . . 0.0 110.277 160.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -144.25 122.05 11.94 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.262 1.025 . . . . 0.0 111.844 -174.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -164.43 171.51 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 127.607 2.363 . . . . 0.0 108.922 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -56.27 -170.77 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 126.353 1.861 . . . . 0.0 113.524 162.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.6 -6.38 0.47 Allowed Glycine 0 N--CA 1.475 1.253 0 N-CA-C 117.458 1.743 . . . . 0.0 117.458 -177.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.9 m -47.93 -64.41 0.8 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 119.913 1.856 . . . . 0.0 111.504 169.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 t -66.69 -36.64 82.99 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 120.888 -1.132 . . . . 0.0 113.094 -174.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -52.22 -56.17 16.41 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.677 1.191 . . . . 0.0 110.209 170.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.451 ' HA ' HG12 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -60.51 -45.12 94.96 Favored 'General case' 0 N--CA 1.436 -1.136 0 CA-C-O 116.705 -1.617 . . . . 0.0 112.47 -178.357 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.585 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -51.81 -53.24 42.35 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-N 121.004 1.729 . . . . 0.0 111.768 171.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.25 -18.02 43.93 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 119.908 -1.745 . . . . 0.0 115.011 -172.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.7 p -89.07 -26.25 5.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 CA-C-N 118.592 0.633 . . . . 0.0 112.027 169.242 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.585 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.7 t -67.7 -30.01 69.41 Favored 'General case' 0 N--CA 1.48 1.025 0 O-C-N 120.508 -1.37 . . . . 0.0 112.089 171.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -44.93 -57.05 4.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.151 167.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -36.7 77.7 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 118.651 0.659 . . . . 0.0 112.072 177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -54.0 -19.73 5.19 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 175.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -123.43 -26.63 4.21 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 118.468 2.766 . . . . 0.0 118.468 162.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -65.39 -45.38 84.22 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 120.743 1.611 . . . . 0.0 112.987 175.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 14.2 mmm180 -73.9 -37.51 64.64 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 120.906 -1.121 . . . . 0.0 112.159 -177.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -92.42 -60.5 1.82 Allowed 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -174.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -102.67 -37.12 8.06 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 -157.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.5 m-80 . . . . . 0 C--O 1.253 1.269 0 C-N-CA 126.704 2.002 . . . . 0.0 112.211 -177.169 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.546 0 N-CA-C 111.128 -0.789 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.8 p -75.33 168.9 19.11 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.889 1.276 . . . . 0.0 113.119 176.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 43.5 t60 -139.47 165.86 26.1 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.408 1.483 . . . . 0.0 111.845 178.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.63 151.58 47.06 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.38 1.072 . . . . 0.0 112.343 176.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ttp180 -139.59 145.9 39.15 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.387 1.475 . . . . 0.0 110.98 175.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.08 8.79 11.64 Favored 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.521 1.675 . . . . 0.0 115.521 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.453 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 56.2 m 50.87 -92.02 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 127.204 2.202 . . . . 0.0 114.269 -176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.5 mt -129.83 95.46 3.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 120.991 1.723 . . . . 0.0 110.398 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -76.13 -34.42 26.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.97 0.908 . . . . 0.0 110.89 174.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.31 7.65 56.95 Favored Glycine 0 CA--C 1.541 1.712 0 C-N-CA 124.858 1.218 . . . . 0.0 113.957 -170.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -139.65 -65.9 0.46 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 125.836 1.654 . . . . 0.0 110.511 169.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . 0.256 0.0 OUTLIER 47.85 35.65 5.06 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.45 1.9 . . . . 0.0 114.441 -177.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -63.8 171.88 2.51 Favored 'General case' 0 C--O 1.215 -0.724 0 C-N-CA 126.27 1.828 . . . . 0.0 112.467 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -39.66 -41.26 1.04 Allowed 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.169 2.285 . . . . 0.0 117.169 -170.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -79.15 -33.61 43.94 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.407 -1.433 . . . . 0.0 113.787 174.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 mm-40 -91.8 11.14 25.71 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 127.332 2.253 . . . . 0.0 113.052 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -70.2 -10.34 58.57 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.879 1.672 . . . . 0.0 114.353 -176.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -41.92 -33.42 0.54 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 126.005 1.722 . . . . 0.0 113.676 -176.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.453 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 1.3 tptp -48.55 -69.69 0.11 Allowed 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.349 1.86 . . . . 0.0 113.029 165.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.575 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -67.41 -37.31 82.89 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 126.417 1.887 . . . . 0.0 109.843 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.578 ' O ' HD12 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -53.94 -51.8 62.66 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 125.065 1.346 . . . . 0.0 108.561 169.191 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.442 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.1 tm? -68.74 -44.82 73.0 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 -165.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -55.92 -37.48 68.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 128.187 2.595 . . . . 0.0 115.409 177.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -81.34 -27.26 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 CA-C-N 119.348 0.976 . . . . 0.0 112.791 172.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 49.5 tp -76.4 -31.66 58.09 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.409 1.083 . . . . 0.0 112.702 -176.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 22.4 pt -76.17 -176.43 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.981 1.312 . . . . 0.0 113.37 175.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -61.21 -28.88 69.46 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 115.524 1.676 . . . . 0.0 115.524 -171.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -150.38 144.03 25.21 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 124.512 1.125 . . . . 0.0 112.008 179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -65.0 146.22 55.31 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.277 1.031 . . . . 0.0 111.939 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.516 ' CE2' HD21 ' B' ' 34' ' ' LEU . 46.3 t80 -142.21 -36.05 0.42 Allowed 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 115.843 1.794 . . . . 0.0 115.843 -160.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.21 -45.04 5.51 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.051 1.341 . . . . 0.0 113.068 168.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -65.23 -40.2 87.9 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 124.506 1.122 . . . . 0.0 112.094 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -53.16 -43.39 67.0 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.857 . . . . 0.0 109.645 171.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.516 HD21 ' CE2' ' B' ' 30' ' ' TYR . 5.7 mt -61.89 -47.34 85.41 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.578 -1.201 . . . . 0.0 110.377 174.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 34.8 tp -52.0 -56.35 14.83 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 119.842 1.201 . . . . 0.0 112.112 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 3.7 t -68.36 -38.66 81.63 Favored 'General case' 0 C--O 1.244 0.781 0 CA-C-N 118.913 0.778 . . . . 0.0 111.464 -173.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 19.9 t -61.28 -43.93 98.07 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 121.522 0.677 . . . . 0.0 110.718 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -65.29 -56.39 12.98 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.341 1.856 . . . . 0.0 110.763 -176.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.77 -43.86 88.92 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.119 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.097 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.91 -29.27 65.28 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 118.79 -1.164 . . . . 0.0 113.223 177.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -69.88 -24.82 63.47 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 119.502 1.046 . . . . 0.0 111.139 177.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.1 -46.72 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.918 -1.113 . . . . 0.0 110.139 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -68.4 -46.48 69.88 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 113.754 1.02 . . . . 0.0 113.754 -172.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.6 t -120.62 -30.67 4.45 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.542 1.137 . . . . 0.0 113.192 -178.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.81 -13.88 69.61 Favored Glycine 0 CA--C 1.541 1.66 0 O-C-N 121.19 -0.944 . . . . 0.0 114.248 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.307 74.4 p 52.46 39.91 28.62 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 127.36 2.264 . . . . 0.0 115.648 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -55.61 145.86 22.29 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.4 -0.813 . . . . 0.0 110.54 159.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -146.28 127.35 14.64 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.007 0.923 . . . . 0.0 111.501 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.8 p -164.13 170.89 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 127.389 2.276 . . . . 0.0 109.009 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 40.1 t0 -62.17 -170.86 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.674 1.59 . . . . 0.0 111.822 165.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.67 -7.01 0.13 Allowed Glycine 0 N--CA 1.474 1.219 0 N-CA-C 118.176 2.03 . . . . 0.0 118.176 -176.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 44.5 m -46.62 -67.63 0.26 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.723 1.762 . . . . 0.0 111.854 170.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.4 t -67.19 -35.25 79.25 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 121.096 -1.003 . . . . 0.0 113.021 -175.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -52.31 -54.92 25.35 Favored 'General case' 0 N--CA 1.464 0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 110.109 171.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.514 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.4 tptt -62.91 -42.81 99.92 Favored 'General case' 0 N--CA 1.436 -1.165 0 C-N-CA 124.748 1.219 . . . . 0.0 112.48 -178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.622 ' O ' HG22 ' B' ' 59' ' ' THR . 12.8 mptt -53.53 -53.01 57.67 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.467 1.485 . . . . 0.0 111.704 171.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -81.82 -20.33 39.3 Favored 'General case' 0 CA--C 1.536 0.439 0 O-C-N 119.68 -1.888 . . . . 0.0 114.838 -173.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.514 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.9 p -85.82 -26.36 6.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-N 118.68 0.673 . . . . 0.0 111.91 169.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.622 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.8 t -68.04 -32.8 73.41 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.584 -1.322 . . . . 0.0 111.356 171.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.68 -57.02 4.56 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-O 118.727 -0.654 . . . . 0.0 110.485 174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -38.07 80.14 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 175.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -56.34 -18.0 9.5 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 118.168 -0.92 . . . . 0.0 113.326 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 mmt-85 -121.86 -26.21 4.86 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 117.479 2.399 . . . . 0.0 117.479 159.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -63.01 -47.52 82.75 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 121.381 1.901 . . . . 0.0 112.46 177.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.0 mmm180 -73.37 -35.82 65.99 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.303 1.441 . . . . 0.0 112.235 -177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -87.42 -60.48 1.96 Allowed 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -176.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -109.06 -41.21 4.76 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -162.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m120 . . . . . 0 C--O 1.253 1.252 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 -168.581 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 111.571 -0.611 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.2 m -71.87 -17.43 62.12 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -174.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -151.0 171.93 16.51 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.693 1.597 . . . . 0.0 111.027 177.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.4 mmt -74.4 143.67 44.69 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.666 -0.646 . . . . 0.0 110.666 163.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 36.6 ttp180 -130.22 142.96 50.53 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.371 1.469 . . . . 0.0 110.821 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 14.4 mmt -124.66 73.41 1.26 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 121.78 0.8 . . . . 0.0 109.37 178.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.436 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 20.2 m -53.73 124.01 13.95 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.501 -0.772 . . . . 0.0 113.016 -173.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' H ' ' HE2' ' A' ' 19' ' ' LYS 0.482 0.0 OUTLIER 35.69 67.54 0.28 Allowed 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 130.284 3.434 . . . . 0.0 117.273 177.804 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' H ' ' A' ' 9' ' ' ILE . 1.3 mt -62.28 -30.29 48.58 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.82 0 C-N-CA 126.956 2.102 . . . . 0.0 112.443 169.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.09 5.03 57.44 Favored Glycine 0 CA--C 1.542 1.747 0 C-N-CA 124.089 0.852 . . . . 0.0 114.705 -167.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -140.83 -73.32 0.34 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 125.231 1.412 . . . . 0.0 111.233 175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.11 47.29 19.92 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.764 2.026 . . . . 0.0 115.836 172.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.2 p90 -130.06 139.09 51.03 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 117.218 2.303 . . . . 0.0 117.218 -174.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.356 2.8 t 49.32 -84.15 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 129.819 3.247 . . . . 0.0 113.212 -174.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.22 -29.11 70.22 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.226 1.01 . . . . 0.0 112.736 171.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -105.36 6.86 33.01 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.902 1.281 . . . . 0.0 112.867 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -64.77 -15.03 61.07 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 178.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.94 -28.36 0.66 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 114.799 1.407 . . . . 0.0 114.799 -173.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.2 tptt -48.9 -70.67 0.08 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.107 1.763 . . . . 0.0 113.698 163.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.675 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.6 mm? -68.04 -34.69 76.96 Favored 'General case' 0 C--O 1.221 -0.407 0 C-N-CA 126.302 1.841 . . . . 0.0 110.331 -174.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.491 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -52.55 -47.87 66.5 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 128.909 2.884 . . . . 0.0 110.936 168.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.3 tp -73.73 -39.88 63.97 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 117.016 -1.874 . . . . 0.0 108.364 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.44 ' ND2' ' HD2' ' A' ' 19' ' ' LYS . 89.3 m-20 -64.44 -22.44 66.96 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 -179.102 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -91.33 -27.16 4.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 119.94 1.245 . . . . 0.0 112.703 167.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.6 tp -70.85 -29.51 65.66 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.069 0.947 . . . . 0.0 112.497 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.1 pt -81.97 -173.91 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 125.249 1.42 . . . . 0.0 113.494 173.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -60.45 -37.4 80.81 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.267 1.827 . . . . 0.0 115.731 -172.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -145.38 150.97 37.53 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.792 1.237 . . . . 0.0 112.574 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.55 89.21 0.52 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 126.102 1.761 . . . . 0.0 112.575 -173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -76.55 -32.87 58.46 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 116.188 1.922 . . . . 0.0 116.188 -161.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.09 -39.0 55.1 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -176.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.424 HG21 ' CG2' ' B' ' 32' ' ' ILE . 40.7 mm -74.42 -22.07 17.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 O-C-N 120.889 -1.132 . . . . 0.0 113.184 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -61.49 -41.9 97.97 Favored 'General case' 0 CA--C 1.547 0.84 0 O-C-N 120.632 -1.293 . . . . 0.0 110.177 171.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.38 -43.49 98.78 Favored 'General case' 0 C--O 1.222 -0.353 0 C-N-CA 124.546 1.138 . . . . 0.0 111.093 169.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.414 HD13 ' HG ' ' A' ' 60' ' ' LEU . 48.4 tp -53.19 -51.58 61.64 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 120.153 1.342 . . . . 0.0 111.238 177.033 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 35.3 m -65.0 -43.69 91.72 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-N 119.172 0.896 . . . . 0.0 111.988 -176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 79.1 p -61.82 -38.74 89.29 Favored 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 120.007 -0.677 . . . . 0.0 110.248 176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.18 -52.67 13.28 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 126.086 1.755 . . . . 0.0 111.422 -174.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -56.88 -42.27 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 O-C-N 121.609 -0.682 . . . . 0.0 110.933 177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.92 -27.32 61.8 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 118.492 -1.283 . . . . 0.0 113.342 176.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -67.87 -22.73 65.1 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.021 -1.049 . . . . 0.0 111.71 172.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -86.14 -47.22 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 120.579 -1.325 . . . . 0.0 110.43 172.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -65.55 -47.42 75.92 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 124.103 0.961 . . . . 0.0 113.508 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 t -118.6 -33.06 4.39 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.609 1.164 . . . . 0.0 112.868 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -19.33 71.88 Favored Glycine 0 CA--C 1.539 1.57 0 O-C-N 121.184 -0.948 . . . . 0.0 113.739 173.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.78 41.62 21.35 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 126.629 1.972 . . . . 0.0 114.272 177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -65.41 145.19 56.47 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 121.073 -1.017 . . . . 0.0 110.821 161.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -150.67 137.1 18.73 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 124.392 1.077 . . . . 0.0 112.423 -178.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.501 HG13 ' H ' ' A' ' 53' ' ' THR . 3.0 p -163.42 164.87 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 127.203 2.201 . . . . 0.0 109.545 176.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -68.65 -22.83 64.38 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 116.25 1.944 . . . . 0.0 116.25 -163.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.06 -11.46 0.03 OUTLIER Glycine 0 N--CA 1.467 0.719 0 C-N-CA 124.818 1.199 . . . . 0.0 114.185 175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.0 m -49.88 -58.2 5.89 Favored 'General case' 0 C--N 1.332 -0.158 0 C-N-CA 124.819 1.248 . . . . 0.0 110.691 171.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.501 ' H ' HG13 ' A' ' 49' ' ' VAL . 9.9 t -65.49 -44.33 87.42 Favored 'General case' 0 N--CA 1.473 0.697 0 O-C-N 121.261 -0.899 . . . . 0.0 112.531 -179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 -47.09 -53.17 13.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.97 0.908 . . . . 0.0 110.655 172.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.8 tptt -60.64 -43.6 97.37 Favored 'General case' 0 N--CA 1.43 -1.463 0 C-N-CA 125.666 1.586 . . . . 0.0 112.369 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.458 ' O ' HD23 ' A' ' 60' ' ' LEU . 2.1 mptm? -57.62 -52.07 66.92 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 120.704 1.593 . . . . 0.0 111.717 172.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.7 mt -70.28 -34.42 72.75 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 119.605 -1.934 . . . . 0.0 111.553 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.1 p -78.83 -30.65 14.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 123.27 0.628 . . . . 0.0 112.548 177.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 5.2 t -71.94 -35.51 69.62 Favored 'General case' 0 N--CA 1.482 1.168 0 O-C-N 120.276 -1.515 . . . . 0.0 111.966 177.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 56' ' ' LYS . 2.1 mm? -46.32 -59.73 2.76 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.458 1.103 . . . . 0.0 110.048 177.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.11 -40.33 82.59 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-O 119.255 -0.402 . . . . 0.0 111.513 175.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -60.46 -15.17 24.14 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 118.884 -0.579 . . . . 0.0 112.547 -175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.4 mmt-85 -112.09 -32.3 6.61 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.804 1.779 . . . . 0.0 115.804 159.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -67.4 -44.87 77.77 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 121.583 1.992 . . . . 0.0 113.868 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.5 mmm180 -73.64 -31.0 63.28 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.868 1.267 . . . . 0.0 112.685 -177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -101.77 -65.07 1.0 Allowed 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 116.535 2.05 . . . . 0.0 116.535 -176.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -92.93 -41.46 10.01 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 116.24 1.941 . . . . 0.0 116.24 -163.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 m120 . . . . . 0 C--O 1.254 1.294 0 C-N-CA 124.988 1.315 . . . . 0.0 113.141 -171.617 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.547 0 N-CA-C 111.835 -0.506 . . . . 0.0 111.835 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.4 m -67.67 149.94 49.36 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.486 1.114 . . . . 0.0 113.133 -179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -74.83 167.3 22.13 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.212 1.005 . . . . 0.0 112.772 175.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 99.5 mmm -78.85 151.93 31.57 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.499 1.12 . . . . 0.0 111.865 167.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.406 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 17.1 ttp180 -129.23 152.77 48.44 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 126.427 1.891 . . . . 0.0 111.361 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -121.12 11.66 10.95 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.551 1.686 . . . . 0.0 115.551 179.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.488 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.257 49.1 m 48.13 -90.97 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 127.218 2.207 . . . . 0.0 115.458 -178.241 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.74 90.67 2.68 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 121.699 2.045 . . . . 0.0 112.98 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.2 mt -72.02 -31.2 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 C-N-CA 126.285 1.834 . . . . 0.0 110.894 176.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.67 4.79 65.31 Favored Glycine 0 CA--C 1.545 1.949 0 N-CA-C 115.205 0.842 . . . . 0.0 115.205 -170.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.64 -63.76 0.61 Allowed 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 118.556 1.178 . . . . 0.0 111.236 168.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.28 31.38 11.65 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -62.21 168.21 3.55 Favored 'General case' 0 C--O 1.216 -0.676 0 C-N-CA 124.851 1.26 . . . . 0.0 111.543 175.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.1 t -33.66 -47.55 0.24 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 -172.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 25.7 mm-40 -72.13 -34.32 68.48 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.392 -1.443 . . . . 0.0 113.724 176.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -94.71 11.9 29.68 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 128.358 2.663 . . . . 0.0 112.875 176.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -79.55 -9.4 59.61 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 124.564 1.146 . . . . 0.0 113.465 -171.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.436 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -44.37 -27.47 0.44 Allowed 'General case' 0 N--CA 1.485 1.28 0 C-N-CA 125.103 1.361 . . . . 0.0 114.502 -177.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.3 tptp -50.9 -69.47 0.11 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.639 1.575 . . . . 0.0 113.673 163.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.486 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -67.93 -39.01 83.58 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 127.505 2.322 . . . . 0.0 109.327 -171.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.4 OUTLIER -47.66 -49.86 26.3 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 130.084 3.354 . . . . 0.0 111.513 165.799 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.7 tp -73.81 -43.76 57.86 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 118.107 -1.437 . . . . 0.0 108.608 -175.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -60.08 -33.56 72.26 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 126.217 1.807 . . . . 0.0 114.058 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.9 pt -82.97 -28.65 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.429 0.899 . . . . 0.0 113.429 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.1 tt -71.65 -33.62 69.06 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 112.518 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.6 pt -77.53 -178.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 124.548 1.139 . . . . 0.0 113.522 176.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -63.79 -29.03 70.28 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 115.783 1.772 . . . . 0.0 115.783 -167.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -147.86 156.56 42.83 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.426 1.09 . . . . 0.0 112.412 168.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.2 mp0 -62.13 149.74 40.52 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.97 1.308 . . . . 0.0 112.147 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -137.4 -42.47 0.56 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 115.08 1.511 . . . . 0.0 115.08 -170.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -38.31 -43.37 0.79 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.918 1.687 . . . . 0.0 113.908 168.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.424 ' CG2' HG21 ' A' ' 32' ' ' ILE . 2.0 mp -66.98 -39.84 84.31 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 124.284 1.034 . . . . 0.0 112.113 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -57.65 -38.75 75.62 Favored 'General case' 0 C--O 1.238 0.471 0 O-C-N 121.238 -0.914 . . . . 0.0 110.19 170.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.03 -45.22 94.55 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.172 -1.394 . . . . 0.0 111.542 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -51.29 -53.79 32.31 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 120.767 1.621 . . . . 0.0 111.256 177.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 7.8 t -63.4 -39.7 95.21 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 122.336 1.065 . . . . 0.0 113.03 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -41.82 99.01 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-O 122.667 1.222 . . . . 0.0 111.446 177.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -68.58 -54.4 16.81 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 126.923 2.089 . . . . 0.0 110.558 -177.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.3 pp -58.5 -40.53 78.99 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.364 0 O-C-N 121.658 -0.651 . . . . 0.0 111.566 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -70.57 -27.1 63.87 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 118.406 -1.318 . . . . 0.0 113.082 175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -63.59 -31.39 72.54 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 119.601 1.091 . . . . 0.0 112.047 170.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.4 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.6 mp -76.32 -51.81 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 O-C-N 120.333 -1.479 . . . . 0.0 110.515 169.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -66.72 -39.48 88.03 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.941 1.296 . . . . 0.0 113.797 -167.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 14.2 t -133.56 -23.14 1.87 Allowed 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.609 1.164 . . . . 0.0 113.805 -177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.16 -21.69 73.95 Favored Glycine 0 CA--C 1.537 1.457 0 CA-C-N 119.656 1.117 . . . . 0.0 112.134 167.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 59.32 48.69 9.82 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 126.528 1.931 . . . . 0.0 112.797 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 30.3 mmmt -51.56 131.62 29.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.598 -0.689 . . . . 0.0 109.834 163.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 8.8 p30 -139.53 33.34 2.05 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.483 1.513 . . . . 0.0 113.157 -167.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.0 p -89.48 170.72 1.2 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.593 0 C-N-CA 127.403 2.281 . . . . 0.0 110.627 175.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.81 -170.38 0.01 OUTLIER 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.753 2.021 . . . . 0.0 112.916 162.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.28 -7.4 0.36 Allowed Glycine 0 N--CA 1.472 1.062 0 N-CA-C 118.027 1.971 . . . . 0.0 118.027 -177.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 90.0 m -47.51 -65.76 0.51 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 120.401 2.101 . . . . 0.0 111.688 172.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.3 t -68.08 -33.32 74.32 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.056 -1.027 . . . . 0.0 113.054 -175.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -55.41 -53.32 57.71 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.492 1.117 . . . . 0.0 110.24 170.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.458 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.3 tptt -60.5 -43.35 97.12 Favored 'General case' 0 N--CA 1.433 -1.297 0 C-N-CA 125.6 1.56 . . . . 0.0 111.997 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.52 -43.31 89.1 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-N 120.228 1.376 . . . . 0.0 112.236 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.31 -42.66 71.69 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 120.495 -1.378 . . . . 0.0 112.509 -178.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.1 p -79.8 -29.16 12.87 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.205 0.602 . . . . 0.0 112.095 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -70.54 -33.37 71.08 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.77 -1.207 . . . . 0.0 112.251 174.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.85 -58.97 3.68 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 119.246 -0.407 . . . . 0.0 111.014 174.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.45 -35.86 81.33 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 119.345 -0.359 . . . . 0.0 111.73 175.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -58.97 -18.89 38.18 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -114.68 -24.62 8.65 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 116.402 2.001 . . . . 0.0 116.402 159.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -75.03 -48.73 22.6 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 122.071 2.214 . . . . 0.0 113.332 -176.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -67.2 -30.88 70.94 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.993 1.317 . . . . 0.0 112.351 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.5 m-85 -97.99 -61.01 1.45 Allowed 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 -176.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 mm-40 -108.12 -40.32 5.24 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 116.622 2.082 . . . . 0.0 116.622 -155.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 126.966 2.106 . . . . 0.0 111.889 -178.426 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.645 0 N-CA-C 111.569 -0.612 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -146.93 160.49 42.27 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.086 1.354 . . . . 0.0 111.767 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.5 t-80 -155.2 174.52 15.09 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 125.723 1.609 . . . . 0.0 111.748 -174.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.8 mtt -76.75 148.49 36.67 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.061 0.945 . . . . 0.0 111.485 164.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.422 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.1 ttp180 -128.18 155.32 44.67 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.189 1.795 . . . . 0.0 111.046 177.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.7 mmt -123.63 10.68 9.09 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 115.565 1.691 . . . . 0.0 115.565 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.51 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 68.7 m 48.71 -82.27 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 127.942 2.497 . . . . 0.0 116.272 -177.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.3 109.11 6.66 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 122.268 2.304 . . . . 0.0 113.468 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mt -88.66 -35.19 7.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 126.112 1.765 . . . . 0.0 111.835 -176.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.62 -5.38 26.21 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 116.398 1.319 . . . . 0.0 116.398 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -139.88 -44.07 0.43 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.491 1.645 . . . . 0.0 111.535 167.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.32 40.2 10.19 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 127.171 2.188 . . . . 0.0 115.183 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.17 171.05 15.16 Favored 'General case' 0 C--O 1.216 -0.682 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.072 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 9.7 t -24.46 -52.69 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 118.226 2.676 . . . . 0.0 118.226 -176.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -79.92 -22.31 42.88 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 120.154 -1.591 . . . . 0.0 114.149 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -100.38 8.68 43.48 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 129.242 3.017 . . . . 0.0 112.945 174.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -75.52 -12.39 60.22 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.787 -1.195 . . . . 0.0 113.629 -170.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.458 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -44.41 -28.29 0.54 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 125.558 1.543 . . . . 0.0 114.106 -172.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.51 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.6 tptp -50.89 -71.29 0.07 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.87 1.668 . . . . 0.0 113.676 163.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.579 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.8 mm? -66.63 -35.15 79.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 127.028 2.131 . . . . 0.0 109.747 -173.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -52.08 -48.05 64.88 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 129.462 3.105 . . . . 0.0 111.574 167.124 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -73.34 -40.56 64.35 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 117.651 -1.62 . . . . 0.0 108.825 -177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -66.58 -18.13 65.2 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 126.414 1.885 . . . . 0.0 114.943 -177.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -95.38 -27.22 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 124.027 0.931 . . . . 0.0 113.134 165.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 tp -70.37 -29.92 66.7 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 124.379 1.072 . . . . 0.0 112.377 178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 23.4 pt -82.8 -174.36 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.836 0 C-N-CA 125.243 1.417 . . . . 0.0 113.519 173.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -65.51 -29.18 69.79 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 116.081 1.882 . . . . 0.0 116.081 -168.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 35.6 p-80 -150.0 158.32 44.04 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.428 1.013 . . . . 0.0 113.331 174.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.82 98.28 0.53 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.45 1.5 . . . . 0.0 112.11 -177.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.678 ' CE2' HD11 ' A' ' 34' ' ' LEU . 68.2 t80 -86.0 -34.3 20.84 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -163.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.54 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -42.47 -35.11 0.96 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 127.055 2.142 . . . . 0.0 114.715 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -67.48 -35.03 72.1 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 O-C-N 121.239 -0.913 . . . . 0.0 112.255 179.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -57.87 -42.95 85.6 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 120.641 -1.287 . . . . 0.0 110.032 175.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.678 HD11 ' CE2' ' A' ' 30' ' ' TYR . 4.9 mp -59.75 -51.16 70.95 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 117.499 -1.239 . . . . 0.0 109.679 172.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.1 tp -49.35 -55.42 12.97 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.699 1.136 . . . . 0.0 111.959 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.4 t -66.43 -41.65 88.89 Favored 'General case' 0 C--O 1.246 0.87 0 CA-C-N 118.601 0.637 . . . . 0.0 111.58 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -42.12 93.93 Favored 'General case' 0 CA--C 1.546 0.817 0 CA-C-O 122.273 1.035 . . . . 0.0 110.773 175.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' HB3' HD11 ' A' ' 57' ' ' LEU . 27.0 mm-40 -73.04 -52.26 15.02 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 126.02 1.728 . . . . 0.0 110.737 -172.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 57' ' ' LEU . 2.0 pp -58.24 -40.75 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.472 0 O-C-N 121.261 -0.9 . . . . 0.0 111.637 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.07 -26.8 62.31 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 118.854 -1.138 . . . . 0.0 113.267 175.131 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -66.45 -23.93 66.35 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 119.541 1.064 . . . . 0.0 111.79 170.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.1 mp -83.09 -50.74 15.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 120.463 -1.398 . . . . 0.0 110.329 170.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -65.79 -45.87 80.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.159 0.983 . . . . 0.0 113.608 -170.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.1 t -118.32 -31.31 5.0 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.545 1.138 . . . . 0.0 112.993 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.41 -15.8 75.25 Favored Glycine 0 CA--C 1.54 1.627 0 O-C-N 121.253 -0.904 . . . . 0.0 114.14 173.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.309 77.2 p 54.11 44.49 29.14 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 127.037 2.135 . . . . 0.0 115.282 178.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.48 139.57 57.96 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 121.534 -0.728 . . . . 0.0 110.6 159.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -150.45 137.73 19.51 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.717 1.607 . . . . 0.0 110.297 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.581 HG13 ' H ' ' A' ' 53' ' ' THR . 2.3 p -164.84 161.66 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 126.281 1.832 . . . . 0.0 110.221 179.306 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -77.05 65.57 2.71 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 127.614 2.366 . . . . 0.0 115.157 -168.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.93 -12.14 62.75 Favored Glycine 0 N--CA 1.473 1.154 0 C-N-CA 127.652 2.548 . . . . 0.0 115.026 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 95.6 m -59.88 -58.5 8.28 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 119.232 1.516 . . . . 0.0 110.063 177.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.581 ' H ' HG13 ' A' ' 49' ' ' VAL . 10.9 t -64.29 -38.66 91.82 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.122 -0.986 . . . . 0.0 113.217 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 59.3 m-85 -50.21 -56.52 10.75 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 124.091 0.956 . . . . 0.0 110.21 170.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.592 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.0 tptt -60.85 -43.9 97.71 Favored 'General case' 0 N--CA 1.433 -1.292 0 C-N-CA 124.94 1.296 . . . . 0.0 112.845 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' O ' HG22 ' A' ' 59' ' ' THR . 1.3 mptm? -60.93 -44.84 96.64 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 120.918 1.69 . . . . 0.0 112.247 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.499 HD12 HG23 ' A' ' 39' ' ' ILE . 3.3 mm? -81.23 -26.47 35.84 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 119.921 -1.737 . . . . 0.0 113.695 -178.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.592 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.2 p -77.87 -29.03 15.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 CA-C-N 119.297 0.953 . . . . 0.0 111.832 170.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 56' ' ' LYS . 3.4 t -72.49 -32.97 66.62 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 120.307 -1.496 . . . . 0.0 112.32 173.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.87 -55.83 6.18 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 119.065 -0.493 . . . . 0.0 110.094 174.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -40.31 78.36 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 175.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -58.72 -15.99 14.55 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 118.627 -0.701 . . . . 0.0 112.641 -178.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.0 mmt180 -111.22 -36.57 5.56 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.637 1.717 . . . . 0.0 115.637 160.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -63.37 -45.55 90.63 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 120.909 1.686 . . . . 0.0 112.855 -176.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.4 mmm180 -73.59 -34.17 64.96 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.675 1.59 . . . . 0.0 112.273 -177.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -105.13 -63.16 1.26 Allowed 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 116.891 2.182 . . . . 0.0 116.891 -173.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -87.17 -44.26 11.62 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -164.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.2 m120 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 125.405 1.482 . . . . 0.0 113.088 -171.323 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 56.4 p -77.92 158.86 29.2 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.754 1.222 . . . . 0.0 113.1 177.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.404 ' HB2' ' H ' ' B' ' 5' ' ' ARG . 5.5 p-80 -79.97 156.94 26.97 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.74 31.25 6.85 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.821 1.248 . . . . 0.0 113.032 156.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.574 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 51.5 ttp180 -57.79 149.89 21.25 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 128.146 2.579 . . . . 0.0 112.519 178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -126.61 59.58 1.36 Allowed 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.722 0.772 . . . . 0.0 112.354 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 70.1 m -66.66 109.16 2.73 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-O 118.616 -0.707 . . . . 0.0 110.24 176.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -130.38 139.05 50.66 Favored 'General case' 0 CA--C 1.536 0.412 1 C-N-CA 135.814 5.645 . . . . 0.0 107.003 -6.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -89.94 -30.56 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.393 0.677 . . . . 0.0 112.46 -173.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.98 6.85 63.04 Favored Glycine 0 CA--C 1.545 1.908 0 C-N-CA 124.498 1.047 . . . . 0.0 114.383 -171.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -136.53 -65.41 0.56 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.441 1.496 . . . . 0.0 110.604 167.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.42 34.09 17.38 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 125.379 1.472 . . . . 0.0 114.017 178.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.6 m-30 -59.45 166.99 2.09 Favored 'General case' 0 C--O 1.215 -0.736 0 C-N-CA 126.156 1.782 . . . . 0.0 111.723 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -37.67 -43.0 0.6 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.165 2.283 . . . . 0.0 117.165 -173.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -77.98 -31.95 51.05 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.21 -1.556 . . . . 0.0 113.79 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -91.39 8.49 35.97 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 127.941 2.496 . . . . 0.0 113.113 174.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.17 -10.77 59.87 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.155 1.382 . . . . 0.0 113.879 -174.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -44.45 -28.91 0.62 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.231 1.412 . . . . 0.0 114.213 -177.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.574 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 4.7 tptt -48.29 -70.34 0.09 Allowed 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.568 1.547 . . . . 0.0 112.338 164.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.559 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.0 mm? -68.6 -36.92 79.35 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 127.741 2.416 . . . . 0.0 110.107 -173.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.05 -52.21 66.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.132 1.373 . . . . 0.0 108.433 169.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -38.83 69.85 Favored 'General case' 0 C--N 1.347 0.498 0 C-N-CA 115.905 -2.318 . . . . 0.0 106.618 -164.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -54.75 -34.76 62.96 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 127.117 2.167 . . . . 0.0 116.201 171.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 16.4 pt -81.44 -27.19 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.167 0 CA-C-N 121.909 2.14 . . . . 0.0 112.654 169.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 47.6 tp -78.72 -31.61 46.48 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.43 1.092 . . . . 0.0 113.178 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 21.6 pt -77.74 -169.05 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 125.036 1.334 . . . . 0.0 113.38 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -49.2 -42.89 41.59 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.628 2.371 . . . . 0.0 114.782 -171.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.8 p80 -155.03 161.48 41.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.428 1.491 . . . . 0.0 111.846 176.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.15 144.39 45.94 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.349 1.06 . . . . 0.0 111.924 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -140.35 -32.22 0.6 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 116.219 1.933 . . . . 0.0 116.219 -167.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.03 -40.22 60.73 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 120.546 1.521 . . . . 0.0 112.255 174.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.4 -40.36 83.85 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 C-N-CA 124.738 1.215 . . . . 0.0 112.388 177.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 65.2 tt0 -59.23 -41.11 87.91 Favored 'General case' 0 C--O 1.24 0.592 0 O-C-N 121.364 -0.835 . . . . 0.0 110.742 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -64.42 -40.77 96.41 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-O 116.353 -1.784 . . . . 0.0 111.592 171.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.9 tp -54.29 -55.43 28.39 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 121.187 1.812 . . . . 0.0 111.081 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 11.0 t -66.54 -37.39 84.88 Favored 'General case' 0 C--O 1.246 0.904 0 CA-C-O 121.879 0.847 . . . . 0.0 111.904 -176.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 10.5 t -61.28 -45.51 94.21 Favored 'General case' 0 CA--C 1.55 0.972 0 CA-C-O 121.638 0.732 . . . . 0.0 110.729 175.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -70.32 -50.25 41.16 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 126.822 2.049 . . . . 0.0 111.838 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.1 -40.74 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 O-C-N 121.503 -0.748 . . . . 0.0 111.188 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.69 -25.18 61.99 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 118.681 -1.208 . . . . 0.0 113.966 172.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -63.26 -28.62 70.15 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.274 0.943 . . . . 0.0 111.459 170.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mp -82.95 -51.58 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 120.706 -1.246 . . . . 0.0 110.824 169.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.78 -39.01 92.9 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.658 1.183 . . . . 0.0 113.547 -168.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.8 t -127.67 -32.47 2.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.67 1.188 . . . . 0.0 113.647 178.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.36 -22.22 72.8 Favored Glycine 0 CA--C 1.535 1.33 0 O-C-N 121.0 -1.062 . . . . 0.0 113.01 178.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.4 m 54.41 47.36 23.04 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.334 1.854 . . . . 0.0 112.806 -178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -37.86 -66.07 0.28 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 127.569 2.348 . . . . 0.0 113.721 176.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 56.4 t30 50.03 46.64 24.3 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 127.474 2.31 . . . . 0.0 114.964 164.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.4 m -91.14 -163.81 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 124.251 1.02 . . . . 0.0 110.458 170.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -56.95 -178.69 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.595 1.158 . . . . 0.0 113.088 162.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.35 -7.14 0.79 Allowed Glycine 0 N--CA 1.471 1.0 0 O-C-N 119.929 -1.732 . . . . 0.0 117.395 178.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 51.7 m -46.92 -64.06 0.87 Allowed 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 120.662 2.231 . . . . 0.0 111.81 170.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.4 t -66.23 -35.25 79.93 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 120.976 -1.078 . . . . 0.0 112.617 -174.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -56.26 -55.47 32.91 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.045 1.338 . . . . 0.0 110.688 171.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.468 ' HA ' HG12 ' B' ' 58' ' ' VAL . 24.3 tptt -60.93 -43.36 98.73 Favored 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 125.833 1.653 . . . . 0.0 112.295 -178.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -56.69 -44.93 81.97 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.359 1.436 . . . . 0.0 111.834 171.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 tt -70.98 -39.26 72.61 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 119.74 -1.85 . . . . 0.0 113.243 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.9 p -82.68 -25.22 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 C-N-CA 122.972 0.509 . . . . 0.0 112.167 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -71.86 -34.5 69.29 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 120.758 -1.214 . . . . 0.0 112.024 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -45.89 -59.26 2.92 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.457 173.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.13 -37.76 84.39 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 177.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -53.87 -24.37 15.72 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 118.147 -0.93 . . . . 0.0 112.435 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -117.24 -27.87 6.33 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 116.971 2.211 . . . . 0.0 116.971 166.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -66.37 -43.89 84.66 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 121.184 1.811 . . . . 0.0 112.982 177.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 7.3 mmm180 -75.28 -33.9 61.28 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 124.338 1.055 . . . . 0.0 112.467 -178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -98.47 -63.2 1.15 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 116.431 2.011 . . . . 0.0 116.431 -174.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -99.75 -42.7 6.73 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 116.323 1.972 . . . . 0.0 116.323 -160.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 C--O 1.252 1.215 0 C-N-CA 126.355 1.862 . . . . 0.0 113.19 -175.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.712 0 N-CA-C 111.678 -0.569 . . . . 0.0 111.678 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -67.59 157.66 33.92 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.749 1.219 . . . . 0.0 113.389 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.5 t60 -140.94 167.44 22.19 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.198 1.399 . . . . 0.0 111.527 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.4 mtm -73.95 76.23 1.67 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.859 1.264 . . . . 0.0 111.402 173.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.459 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 16.6 ttp180 -62.18 151.31 36.34 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.515 1.126 . . . . 0.0 110.781 172.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 91.3 mmm -117.87 9.56 12.93 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.542 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.262 71.9 m 44.86 -88.02 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 128.162 2.585 . . . . 0.0 115.266 -176.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -126.97 90.39 3.14 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 121.04 1.746 . . . . 0.0 110.608 -179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -72.7 -39.36 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 O-C-N 121.516 -0.74 . . . . 0.0 110.45 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.72 6.78 54.28 Favored Glycine 0 CA--C 1.543 1.827 0 C-N-CA 124.598 1.094 . . . . 0.0 113.992 -169.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -139.87 -64.36 0.48 Allowed 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.275 1.43 . . . . 0.0 110.621 168.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.05 34.11 16.4 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.436 1.494 . . . . 0.0 114.282 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 17.1 m-30 -62.56 165.07 6.68 Favored 'General case' 0 C--O 1.216 -0.669 0 C-N-CA 125.258 1.423 . . . . 0.0 111.218 178.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -32.99 -45.15 0.12 Allowed 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 117.718 2.488 . . . . 0.0 117.718 -173.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -75.67 -32.08 60.01 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.097 -1.627 . . . . 0.0 113.812 176.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -93.36 4.75 53.46 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 128.195 2.598 . . . . 0.0 113.102 174.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.7 -10.88 60.05 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.474 1.51 . . . . 0.0 114.293 -175.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -43.5 -28.06 0.33 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.037 1.735 . . . . 0.0 114.834 -178.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.5 tptp -50.64 -69.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 125.983 1.713 . . . . 0.0 112.734 163.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.535 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.13 -36.78 77.83 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 127.866 2.466 . . . . 0.0 109.555 -173.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -51.8 66.09 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 125.292 1.437 . . . . 0.0 108.362 168.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 36.2 tp -69.54 -46.12 67.21 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 117.114 -1.835 . . . . 0.0 106.616 -164.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -50.66 -42.69 56.82 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 127.997 2.519 . . . . 0.0 115.2 174.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.9 pt -77.38 -28.07 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 119.716 1.144 . . . . 0.0 112.237 174.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -76.25 -30.86 58.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.986 0.915 . . . . 0.0 112.629 -174.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG13 ' H ' ' A' ' 27' ' ' ASN . 10.5 pt -68.64 -59.42 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.294 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' H ' HG13 ' A' ' 26' ' ' ILE . 70.1 m-80 -143.68 8.92 1.54 Allowed 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 126.395 1.878 . . . . 0.0 112.28 -176.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 44.1 t-80 55.62 60.55 3.26 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.38 1.872 . . . . 0.0 113.765 -167.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -138.14 -167.34 2.14 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 125.538 1.535 . . . . 0.0 111.754 -177.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.255 0.2 OUTLIER 67.73 -164.12 0.21 Allowed 'General case' 0 CA--C 1.552 1.024 0 N-CA-C 115.662 1.727 . . . . 0.0 115.662 160.545 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 47.49 -48.73 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 129.362 3.065 . . . . 0.0 116.097 -141.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.414 HG21 ' CG2' ' B' ' 32' ' ' ILE . 18.0 mm -69.56 -27.51 34.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 126.156 1.782 . . . . 0.0 113.372 -175.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -55.91 -44.68 78.49 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-O 121.911 0.862 . . . . 0.0 109.13 170.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.4 mt -63.92 -45.98 86.84 Favored 'General case' 0 C--O 1.222 -0.394 0 CA-C-O 117.179 -1.391 . . . . 0.0 110.473 174.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.5 tp -50.89 -55.89 14.9 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 120.029 1.286 . . . . 0.0 112.18 177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 7.9 t -66.52 -39.4 88.63 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 118.788 0.722 . . . . 0.0 111.626 -174.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 t -61.03 -44.66 97.07 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.79 0.805 . . . . 0.0 110.918 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -66.04 -54.57 24.18 Favored 'General case' 0 N--CA 1.465 0.292 0 C-N-CA 126.494 1.917 . . . . 0.0 110.855 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.95 -40.84 84.09 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.268 0 O-C-N 121.827 -0.546 . . . . 0.0 111.63 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.66 -27.33 63.95 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.692 -1.203 . . . . 0.0 113.118 174.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -67.84 -25.14 65.4 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 119.731 1.151 . . . . 0.0 111.824 172.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -82.06 -48.59 18.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.479 -1.388 . . . . 0.0 110.222 170.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -68.4 -45.72 71.9 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 -171.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.1 t -118.56 -31.97 4.73 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.579 1.152 . . . . 0.0 113.092 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.08 -19.08 71.62 Favored Glycine 0 CA--C 1.538 1.51 0 O-C-N 120.976 -1.078 . . . . 0.0 113.286 172.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 59.17 39.65 22.65 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.47 1.908 . . . . 0.0 113.803 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -66.81 135.78 54.45 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.155 -0.965 . . . . 0.0 110.254 162.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -161.86 121.66 2.5 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.856 1.262 . . . . 0.0 110.626 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.4 m -140.01 -160.6 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 125.937 1.695 . . . . 0.0 110.226 174.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -56.33 -175.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 125.986 1.714 . . . . 0.0 113.905 163.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.68 -6.83 0.8 Allowed Glycine 0 N--CA 1.472 1.079 0 N-CA-C 117.22 1.648 . . . . 0.0 117.22 178.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.8 m -48.03 -64.04 0.9 Allowed 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 119.977 1.889 . . . . 0.0 111.432 169.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 14.0 t -66.7 -37.28 84.4 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.041 -1.037 . . . . 0.0 112.964 -174.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -51.24 -56.34 13.42 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.914 1.286 . . . . 0.0 110.43 169.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.553 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.9 tptt -62.76 -42.64 99.78 Favored 'General case' 0 N--CA 1.439 -1.012 0 C-N-CA 125.348 1.459 . . . . 0.0 113.321 -177.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' HG22 ' A' ' 59' ' ' THR . 1.1 mptt -54.38 -51.85 63.51 Favored 'General case' 0 N--CA 1.486 1.35 0 CA-C-N 120.74 1.609 . . . . 0.0 111.086 170.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -70.01 -36.28 74.99 Favored 'General case' 0 N--CA 1.467 0.424 0 O-C-N 120.136 -1.602 . . . . 0.0 112.619 -174.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.2 p -82.24 -26.75 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 C-N-CA 123.289 0.635 . . . . 0.0 112.259 177.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.6 t -69.84 -33.74 72.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 120.689 -1.257 . . . . 0.0 112.163 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -45.83 -56.68 5.08 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 119.121 -0.466 . . . . 0.0 110.57 175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.59 -37.3 73.89 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 119.218 -0.42 . . . . 0.0 112.108 176.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -56.81 -18.32 12.44 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 118.465 -0.779 . . . . 0.0 112.872 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -121.5 -23.34 5.65 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 117.566 2.432 . . . . 0.0 117.566 161.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -65.3 -50.53 65.35 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 122.021 2.191 . . . . 0.0 112.731 174.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.8 mmm180 -69.74 -34.1 73.38 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.873 1.269 . . . . 0.0 112.246 -175.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -86.5 -58.86 2.45 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.547 1.939 . . . . 0.0 115.736 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -116.11 -42.64 3.04 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 116.446 2.017 . . . . 0.0 116.446 -159.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 . . . . . 0 C--O 1.255 1.358 0 C-N-CA 126.828 2.051 . . . . 0.0 112.503 -174.426 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.629 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 34.1 m -141.82 151.73 43.04 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.2 1.4 . . . . 0.0 111.796 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -75.56 162.68 28.08 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.568 0.747 . . . . 0.0 112.883 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 75.6 mtm -64.44 153.94 37.23 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.878 1.271 . . . . 0.0 112.292 173.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.431 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 18.4 ttp180 -142.77 149.1 38.26 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.902 1.281 . . . . 0.0 111.21 175.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 91.5 mmm -120.74 10.77 11.04 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 115.652 1.723 . . . . 0.0 115.652 -178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.491 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 67.4 m 48.57 -93.54 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 127.239 2.216 . . . . 0.0 114.982 -175.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 mt -130.7 90.35 2.9 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 121.393 1.906 . . . . 0.0 110.59 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -70.46 -31.6 47.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 124.19 0.996 . . . . 0.0 111.051 174.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.97 8.47 60.39 Favored Glycine 0 CA--C 1.542 1.737 0 C-N-CA 124.107 0.86 . . . . 0.0 113.581 -170.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -142.26 -63.64 0.43 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.953 1.701 . . . . 0.0 110.969 172.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.66 41.21 25.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 126.829 2.052 . . . . 0.0 114.402 178.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -98.77 107.39 19.82 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 121.225 -0.922 . . . . 0.0 113.437 -158.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.6 t 50.4 -71.88 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 128.75 2.82 . . . . 0.0 115.153 176.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -61.21 -32.34 72.1 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.792 1.237 . . . . 0.0 112.637 165.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -102.81 9.52 38.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.188 0.995 . . . . 0.0 112.453 177.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -67.44 -9.16 39.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.076 1.51 . . . . 0.0 115.076 178.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.457 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -45.18 -29.35 0.93 Allowed 'General case' 0 N--CA 1.489 1.524 0 CA-C-N 120.194 1.361 . . . . 0.0 114.331 -175.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.491 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.0 tptp -48.28 -68.46 0.18 Allowed 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.873 1.669 . . . . 0.0 113.374 164.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.482 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.91 -36.77 78.41 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 127.64 2.376 . . . . 0.0 109.584 -172.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.457 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -51.84 -48.27 64.03 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 129.169 2.988 . . . . 0.0 111.311 167.25 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.32 -44.47 58.92 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 118.607 -1.237 . . . . 0.0 107.911 -175.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -60.4 -29.24 68.84 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 126.917 2.087 . . . . 0.0 115.257 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.8 pt -87.52 -27.96 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 170.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.4 tp -72.22 -30.21 64.7 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 123.907 0.883 . . . . 0.0 112.742 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 27.6 pt -80.33 -175.48 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.304 1.441 . . . . 0.0 113.397 174.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -71.7 -28.96 64.06 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 115.117 1.525 . . . . 0.0 115.117 -170.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -132.16 139.45 48.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 125.39 1.476 . . . . 0.0 113.027 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -74.73 81.93 2.08 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.281 1.433 . . . . 0.0 111.663 -175.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.429 ' CE2' HD21 ' B' ' 34' ' ' LEU . 38.8 t80 -73.61 -33.27 64.51 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -159.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.2 -41.95 13.48 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.201 1.401 . . . . 0.0 113.316 171.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.414 ' CG2' HG21 ' A' ' 32' ' ' ILE . 1.8 mp -62.87 -40.69 89.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 123.973 0.909 . . . . 0.0 112.162 177.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -57.47 -38.55 74.71 Favored 'General case' 0 C--O 1.239 0.522 0 O-C-N 121.503 -0.748 . . . . 0.0 110.276 172.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.429 HD21 ' CE2' ' B' ' 30' ' ' TYR . 4.0 mt -64.54 -42.68 95.58 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 117.381 -1.295 . . . . 0.0 110.664 174.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 45.1 tp -54.88 -56.97 13.7 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 120.093 1.315 . . . . 0.0 111.721 177.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 13.0 t -66.97 -37.01 83.47 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 122.066 0.936 . . . . 0.0 112.038 -174.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -62.56 -44.47 96.26 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.688 174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -66.17 -53.19 40.59 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 125.752 1.621 . . . . 0.0 111.283 -177.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -59.41 -40.23 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 O-C-N 121.748 -0.595 . . . . 0.0 111.559 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.19 -26.01 62.77 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 118.617 -1.233 . . . . 0.0 113.5 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -63.12 -32.02 73.3 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.965 -1.084 . . . . 0.0 111.511 170.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mp -75.88 -51.22 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 O-C-N 120.152 -1.592 . . . . 0.0 110.32 170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 28.6 tp10 -68.41 -40.41 81.27 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -167.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.0 t -127.98 -26.94 2.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.875 1.27 . . . . 0.0 113.485 -178.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.73 -21.76 75.07 Favored Glycine 0 CA--C 1.539 1.546 0 O-C-N 120.971 -1.081 . . . . 0.0 112.779 170.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.7 m 58.95 45.05 15.59 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.321 1.848 . . . . 0.0 113.113 -178.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -55.01 135.87 48.39 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.788 1.235 . . . . 0.0 110.368 166.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -152.08 115.07 4.66 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.531 1.132 . . . . 0.0 110.168 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.524 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -161.93 163.12 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 126.318 1.847 . . . . 0.0 109.46 -177.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 47.4 t0 -77.05 62.85 2.24 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 127.863 2.465 . . . . 0.0 114.473 -168.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.63 -7.71 68.25 Favored Glycine 0 N--CA 1.468 0.8 0 C-N-CA 127.318 2.389 . . . . 0.0 114.895 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 74.2 m -60.84 -61.51 2.53 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 120.019 1.909 . . . . 0.0 110.513 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.524 ' H ' HG13 ' B' ' 49' ' ' VAL . 7.3 t -60.98 -36.75 80.26 Favored 'General case' 0 N--CA 1.48 1.071 0 O-C-N 120.92 -1.113 . . . . 0.0 113.13 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -54.31 -56.76 15.32 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.664 1.186 . . . . 0.0 110.518 171.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.9 tptt -59.87 -45.05 93.69 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 125.447 1.499 . . . . 0.0 112.766 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.413 ' O ' HG22 ' B' ' 59' ' ' THR . 1.2 mptm? -54.03 -46.8 71.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-N 120.749 1.613 . . . . 0.0 111.831 172.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.6 tt -70.75 -38.14 73.48 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 120.262 -1.524 . . . . 0.0 113.297 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.8 p -84.81 -23.8 7.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.59 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.413 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.6 t -70.62 -34.65 72.33 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 120.832 -1.167 . . . . 0.0 111.398 171.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.03 3.85 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-O 118.496 -0.764 . . . . 0.0 110.633 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.08 -36.98 84.65 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-N 118.148 0.431 . . . . 0.0 111.877 176.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -56.45 -18.92 12.83 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.474 0.916 . . . . 0.0 113.474 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 47.8 mtt-85 -122.04 -27.8 4.52 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 118.617 2.821 . . . . 0.0 118.617 159.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -63.17 -46.92 84.86 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 120.943 1.701 . . . . 0.0 113.007 177.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 14.3 mmm180 -72.67 -38.3 67.66 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.414 1.086 . . . . 0.0 112.246 -178.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -86.9 -56.0 3.59 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 115.649 1.722 . . . . 0.0 115.649 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -114.69 -35.4 4.86 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 -157.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.442 1.897 . . . . 0.0 112.607 -177.897 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.641 0 N-CA-C 111.93 -0.468 . . . . 0.0 111.93 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m 52.36 44.13 30.15 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 125.382 1.473 . . . . 0.0 113.903 177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -66.65 113.6 4.93 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.981 1.312 . . . . 0.0 112.064 -171.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.6 mmt -87.0 169.16 12.67 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 125.105 1.362 . . . . 0.0 110.785 172.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.538 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 18.8 ttp180 -126.45 138.46 53.53 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.008 0.923 . . . . 0.0 112.397 179.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 68.1 mmm -125.84 67.37 1.18 Allowed 'General case' 0 CA--C 1.533 0.299 0 O-C-N 123.98 0.8 . . . . 0.0 109.868 178.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 34.5 m -48.82 115.07 1.13 Allowed 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.963 0.887 . . . . 0.0 113.361 -171.321 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . 0.293 1.7 mt 50.19 75.64 0.17 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 130.138 3.375 . . . . 0.0 113.8 177.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -67.51 -32.46 57.17 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 C-N-CA 124.802 1.241 . . . . 0.0 111.271 170.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.48 0.63 56.73 Favored Glycine 0 CA--C 1.541 1.695 0 C-N-CA 125.838 1.685 . . . . 0.0 114.791 -174.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -135.45 -58.11 0.79 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 118.539 1.17 . . . . 0.0 110.174 168.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.71 41.65 24.92 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 125.653 1.581 . . . . 0.0 114.589 176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -90.15 100.99 13.71 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 124.115 0.966 . . . . 0.0 113.307 -161.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.317 4.5 t 52.83 -69.44 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 128.898 2.879 . . . . 0.0 115.585 173.318 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -65.71 -28.28 68.95 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 120.658 -1.276 . . . . 0.0 112.253 165.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -101.07 6.62 43.42 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.382 1.073 . . . . 0.0 111.849 178.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -70.4 -9.3 55.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 178.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -43.6 -31.26 0.72 Allowed 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 120.62 1.554 . . . . 0.0 114.688 -175.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 1.2 tptt -49.95 -66.42 0.4 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.413 1.485 . . . . 0.0 112.447 167.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -70.77 -37.05 73.33 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 127.539 2.336 . . . . 0.0 109.771 -173.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.24 -51.58 66.14 Favored 'General case' 0 N--CA 1.462 0.147 0 C-N-CA 124.731 1.212 . . . . 0.0 108.853 169.132 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD12 ' HD3' ' A' ' 5' ' ' ARG . 1.4 tm? -68.72 -45.13 72.34 Favored 'General case' 0 C--N 1.346 0.436 0 N-CA-C 105.403 -2.073 . . . . 0.0 105.403 -164.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -54.51 -45.3 73.27 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 127.536 2.334 . . . . 0.0 115.247 176.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.6 pt -74.58 -26.48 20.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 CA-C-N 120.696 1.589 . . . . 0.0 112.332 176.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 tp -76.82 -32.78 57.83 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.117 0.967 . . . . 0.0 112.633 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.5 pt -77.96 -168.41 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 124.846 1.259 . . . . 0.0 113.026 174.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -50.83 -40.3 55.48 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 126.926 2.09 . . . . 0.0 114.884 -172.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -155.55 154.31 31.53 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.645 1.178 . . . . 0.0 112.724 178.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -68.29 70.36 0.16 Allowed 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 127.837 2.455 . . . . 0.0 113.489 -172.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -61.51 -26.64 68.05 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 116.407 2.003 . . . . 0.0 116.407 -162.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.69 -37.03 27.2 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 119.132 0.878 . . . . 0.0 112.496 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 HD11 ' CD1' ' A' ' 64' ' ' PHE . 24.2 mm -74.64 -30.55 25.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 N-CA-C 113.282 0.845 . . . . 0.0 113.282 -177.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -61.71 -41.24 97.34 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 119.704 -0.798 . . . . 0.0 110.126 173.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.99 -47.35 85.5 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-O 117.264 -1.35 . . . . 0.0 111.91 169.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.475 HD22 HD22 ' B' ' 35' ' ' LEU . 4.6 tt -49.35 -54.9 14.88 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 119.941 1.246 . . . . 0.0 110.988 179.024 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.413 ' HG ' ' HE2' ' B' ' 64' ' ' PHE . 57.7 p -64.0 -38.63 91.77 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-N 119.176 0.898 . . . . 0.0 112.644 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -63.48 -42.66 98.57 Favored 'General case' 0 CA--C 1.552 1.043 0 CA-C-O 122.649 1.214 . . . . 0.0 109.921 178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -69.02 -53.44 20.47 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.873 2.469 . . . . 0.0 110.737 -176.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.52 -43.28 82.75 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 O-C-N 121.88 -0.512 . . . . 0.0 111.0 178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.94 -28.22 63.31 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 119.218 -0.993 . . . . 0.0 113.31 178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -66.47 -31.2 71.8 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.336 0.971 . . . . 0.0 110.358 175.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.94 -43.84 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 O-C-N 120.933 -1.104 . . . . 0.0 110.342 177.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -68.09 -50.19 56.49 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.315 1.046 . . . . 0.0 113.822 -174.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.7 t -120.24 -29.35 4.87 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.579 1.152 . . . . 0.0 113.224 -175.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.53 -20.0 73.36 Favored Glycine 0 CA--C 1.539 1.59 0 O-C-N 121.3 -0.875 . . . . 0.0 113.618 170.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.8 m 57.08 45.71 20.42 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.742 2.017 . . . . 0.0 113.827 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm -58.72 149.59 25.82 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.186 0.994 . . . . 0.0 110.944 165.355 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -140.59 117.35 10.98 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.272 1.029 . . . . 0.0 111.384 -177.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.4 p -160.74 167.25 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 126.659 1.984 . . . . 0.0 109.845 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -64.07 -170.58 0.04 OUTLIER 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 126.297 1.839 . . . . 0.0 112.013 167.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.41 -6.3 0.27 Allowed Glycine 0 N--CA 1.472 1.097 0 N-CA-C 118.032 1.973 . . . . 0.0 118.032 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.9 m -46.11 -66.75 0.36 Allowed 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 119.82 1.81 . . . . 0.0 111.72 170.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -67.19 -36.47 81.83 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 121.35 -0.844 . . . . 0.0 112.72 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -52.73 -53.32 49.47 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.314 1.046 . . . . 0.0 110.816 171.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.2 tptt -64.74 -44.0 91.54 Favored 'General case' 0 N--CA 1.434 -1.253 0 C-N-CA 125.009 1.324 . . . . 0.0 112.301 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.437 ' O ' HG22 ' A' ' 59' ' ' THR . 12.0 mptt -52.62 -50.53 62.93 Favored 'General case' 0 N--CA 1.485 1.312 0 CA-C-N 120.349 1.431 . . . . 0.0 110.889 168.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.3 tt -69.09 -36.72 77.89 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 119.839 -1.788 . . . . 0.0 113.022 -173.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.0 p -84.2 -27.25 7.14 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 C-N-CA 123.528 0.731 . . . . 0.0 112.148 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.5 t -71.34 -34.26 70.35 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 120.739 -1.226 . . . . 0.0 112.181 174.182 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.98 -60.3 2.34 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.258 1.423 . . . . 0.0 109.793 174.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.19 -36.67 74.79 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 119.197 -0.43 . . . . 0.0 111.684 178.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.32 -20.8 20.63 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 118.683 -0.675 . . . . 0.0 112.578 179.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.472 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -114.09 -31.87 6.21 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 167.225 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.425 ' CD1' HD11 ' A' ' 32' ' ' ILE . 52.7 t80 -65.7 -55.25 18.38 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 119.306 0.957 . . . . 0.0 113.46 177.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.8 mmm180 -68.37 -34.51 76.2 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.974 1.31 . . . . 0.0 112.267 -175.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -84.43 -59.34 2.41 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 115.448 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -106.35 -47.21 3.85 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 114.923 1.453 . . . . 0.0 114.923 -161.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 . . . . . 0 C--O 1.254 1.341 0 C-N-CA 126.533 1.933 . . . . 0.0 112.926 -171.884 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.4 m 52.67 40.66 30.63 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.494 1.518 . . . . 0.0 115.077 174.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -67.51 162.31 23.55 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.99 0.916 . . . . 0.0 111.749 175.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.47 114.2 7.48 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.05 -1.031 . . . . 0.0 109.103 165.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.556 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 36.5 ttp180 -100.92 142.47 32.34 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.123 1.369 . . . . 0.0 110.199 -179.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.2 mmt -121.22 67.05 0.87 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.571 0.7 . . . . 0.0 109.605 -178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.413 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 57.5 m -50.45 114.01 1.02 Allowed 'General case' 0 CA--C 1.537 0.45 0 CA-C-O 122.052 0.929 . . . . 0.0 112.759 -172.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 mt 51.58 73.42 0.31 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 129.175 2.99 . . . . 0.0 113.987 177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -65.92 -31.75 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.464 1.106 . . . . 0.0 111.467 169.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.79 2.4 56.23 Favored Glycine 0 CA--C 1.542 1.761 0 C-N-CA 125.952 1.739 . . . . 0.0 114.854 -172.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -137.96 -55.04 0.66 Allowed 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.722 1.209 . . . . 0.0 110.869 168.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.75 39.31 31.29 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 126.272 1.829 . . . . 0.0 114.515 176.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -95.81 108.0 20.3 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -159.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.333 5.0 t 50.78 -72.41 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 128.961 2.905 . . . . 0.0 115.703 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -63.58 -29.89 71.08 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 120.662 -1.274 . . . . 0.0 112.092 166.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -99.5 5.0 46.24 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 125.847 1.659 . . . . 0.0 111.985 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -68.96 -8.54 45.54 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.092 1.516 . . . . 0.0 115.092 178.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.488 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.41 -28.29 0.85 Allowed 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 121.011 1.732 . . . . 0.0 114.903 -174.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.556 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.5 OUTLIER -51.92 -67.64 0.23 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.019 1.728 . . . . 0.0 113.584 165.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.542 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.9 mm? -70.58 -35.28 72.96 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 127.725 2.41 . . . . 0.0 109.745 -173.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.488 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -50.49 -49.86 54.3 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 129.029 2.932 . . . . 0.0 111.342 165.531 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 54.0 tp -73.48 -40.53 64.03 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 117.049 -1.86 . . . . 0.0 108.813 -176.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . 0.409 ' ND2' ' HD2' ' B' ' 19' ' ' LYS . 87.6 m-20 -63.54 -15.02 56.82 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 127.135 2.174 . . . . 0.0 116.242 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 pt -101.42 -26.39 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 CA-C-N 119.859 1.209 . . . . 0.0 113.183 164.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 tp -73.39 -29.96 62.96 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.474 1.109 . . . . 0.0 113.064 -177.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 17.4 pt -76.45 -178.59 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 124.424 1.09 . . . . 0.0 113.683 176.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 p30 -62.17 -25.0 67.51 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 116.047 1.869 . . . . 0.0 116.047 -171.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -139.68 153.8 47.35 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.949 1.3 . . . . 0.0 112.685 175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 22.0 mp0 -72.16 129.51 38.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.588 0.755 . . . . 0.0 111.791 179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -118.61 -145.46 0.38 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.945 1.298 . . . . 0.0 111.789 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . 48.64 -44.41 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 129.736 3.214 . . . . 0.0 117.015 -153.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.415 ' CG2' HG21 ' A' ' 32' ' ' ILE . 1.7 mp -77.51 -30.06 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 125.111 1.364 . . . . 0.0 113.154 -164.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.35 -40.4 82.09 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.241 -0.912 . . . . 0.0 110.152 169.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.78 -46.77 88.12 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 117.14 -1.409 . . . . 0.0 110.618 171.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.475 HD22 HD22 ' A' ' 35' ' ' LEU . 4.8 tt -47.11 -55.81 7.7 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.135 1.334 . . . . 0.0 111.386 176.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 44.6 t -64.4 -40.98 96.85 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 119.317 0.962 . . . . 0.0 112.425 -179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.63 -40.97 96.76 Favored 'General case' 0 CA--C 1.552 1.045 0 CA-C-O 122.218 1.009 . . . . 0.0 111.337 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -69.35 -55.53 10.15 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 128.007 2.523 . . . . 0.0 110.641 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.1 pp -57.53 -42.82 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 O-C-N 121.743 -0.598 . . . . 0.0 111.097 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.55 -29.62 63.72 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 119.255 -0.978 . . . . 0.0 113.575 178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -68.87 -27.39 65.77 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.619 1.099 . . . . 0.0 110.848 177.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.6 mp -83.63 -41.76 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 O-C-N 121.199 -0.938 . . . . 0.0 110.858 174.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -67.99 -52.08 39.92 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -120.25 -31.92 4.27 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.818 1.247 . . . . 0.0 112.882 -173.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.49 -18.97 64.11 Favored Glycine 0 CA--C 1.538 1.528 0 O-C-N 121.186 -0.947 . . . . 0.0 113.336 170.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.3 m 57.38 43.84 22.57 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 126.78 2.032 . . . . 0.0 113.604 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -58.55 149.52 25.29 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 121.418 -0.801 . . . . 0.0 110.987 161.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -140.47 119.6 12.82 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.288 1.035 . . . . 0.0 111.301 -179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.97 168.12 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 126.894 2.078 . . . . 0.0 109.543 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -64.4 -171.35 0.06 Allowed 'General case' 0 CA--C 1.553 1.074 0 C-N-CA 126.229 1.812 . . . . 0.0 111.871 167.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -52.3 -5.91 0.23 Allowed Glycine 0 N--CA 1.473 1.135 0 N-CA-C 118.064 1.986 . . . . 0.0 118.064 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 48.7 m -45.51 -68.51 0.19 Allowed 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.803 1.802 . . . . 0.0 111.708 170.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.78 -35.17 78.2 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.156 -0.965 . . . . 0.0 112.874 -174.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -52.51 -54.25 35.09 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 124.413 1.085 . . . . 0.0 110.516 171.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.501 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.9 tptt -63.72 -43.57 96.14 Favored 'General case' 0 N--CA 1.434 -1.274 0 CA-C-O 117.467 -1.254 . . . . 0.0 112.268 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.527 ' O ' HG22 ' B' ' 59' ' ' THR . 11.6 mptt -53.6 -49.28 68.15 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 120.255 1.389 . . . . 0.0 111.78 169.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.25 2.5 pp -81.38 -21.11 39.27 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.356 -2.09 . . . . 0.0 114.982 -173.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.501 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.5 p -87.35 -25.73 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 123.409 0.684 . . . . 0.0 112.191 171.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.527 HG22 ' O ' ' B' ' 56' ' ' LYS . 3.7 t -70.27 -33.19 71.29 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.589 -1.32 . . . . 0.0 112.036 171.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -45.86 -58.42 3.54 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.783 0.833 . . . . 0.0 110.628 174.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.46 -37.54 77.35 Favored 'General case' 0 N--CA 1.482 1.159 0 CA-C-O 119.348 -0.358 . . . . 0.0 111.713 176.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -55.34 -19.18 8.09 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtt-85 -120.18 -25.81 5.63 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 118.069 2.618 . . . . 0.0 118.069 161.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . 0.413 ' HE2' ' HG ' ' A' ' 36' ' ' SER . 51.2 t80 -63.27 -53.51 51.75 Favored 'General case' 0 CA--C 1.549 0.911 0 CA-C-N 120.747 1.612 . . . . 0.0 113.264 174.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.0 mmm180 -70.69 -28.55 64.85 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.191 1.396 . . . . 0.0 113.19 -175.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -91.92 -56.82 2.94 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.841 2.056 . . . . 0.0 115.608 -178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.49 -34.9 4.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -157.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 126.545 1.938 . . . . 0.0 112.697 -176.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.719 -0.552 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.3 p -146.62 162.29 38.73 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.35 1.46 . . . . 0.0 112.406 -179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -71.17 144.39 50.2 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.052 0.941 . . . . 0.0 111.469 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 77.8 mtm -137.04 162.87 32.15 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.963 1.705 . . . . 0.0 110.021 177.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -132.92 147.62 52.29 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.915 0.886 . . . . 0.0 112.919 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -122.54 12.74 10.06 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.253 1.575 . . . . 0.0 115.253 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.488 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 64.4 m 47.19 -95.03 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.273 2.229 . . . . 0.0 114.937 -175.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mt -125.49 91.51 3.42 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 121.252 1.842 . . . . 0.0 110.14 -178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mt -71.59 -35.35 55.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 123.828 0.851 . . . . 0.0 110.66 175.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.22 -0.13 58.59 Favored Glycine 0 CA--C 1.541 1.696 0 C-N-CA 125.129 1.347 . . . . 0.0 113.7 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -130.86 -70.93 0.59 Allowed 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 125.406 1.483 . . . . 0.0 108.985 171.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.77 32.08 20.63 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.189 1.396 . . . . 0.0 114.345 -178.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -55.66 165.15 0.91 Allowed 'General case' 0 C--O 1.216 -0.707 0 C-N-CA 126.268 1.827 . . . . 0.0 111.966 175.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.6 t -38.05 -41.34 0.56 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 -175.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -77.07 -34.3 57.02 Favored 'General case' 0 N--CA 1.482 1.137 0 O-C-N 120.284 -1.51 . . . . 0.0 113.545 174.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -90.2 7.98 35.36 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 127.814 2.445 . . . . 0.0 113.082 174.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.99 -8.97 58.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.234 1.414 . . . . 0.0 113.746 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.9 pm0 -44.57 -31.47 1.14 Allowed 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.677 1.126 . . . . 0.0 113.291 -176.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.488 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.3 tptp -47.78 -67.36 0.28 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.272 1.429 . . . . 0.0 113.585 165.527 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.467 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.1 mm? -69.16 -37.33 78.16 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.531 2.333 . . . . 0.0 109.752 -173.181 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.421 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -52.59 -47.67 66.76 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 129.551 3.14 . . . . 0.0 111.085 168.332 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.9 tt -74.55 -44.42 51.14 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 118.464 -1.294 . . . . 0.0 107.882 -175.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -59.29 -28.39 66.73 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 127.242 2.217 . . . . 0.0 115.407 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 pt -86.73 -31.82 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 169.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.33 -38.26 74.86 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.388 0.675 . . . . 0.0 111.812 -176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.479 HG13 ' H ' ' A' ' 27' ' ' ASN . 7.3 pt -55.67 -57.18 8.71 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 114.901 1.445 . . . . 0.0 114.901 -173.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.479 ' H ' HG13 ' A' ' 26' ' ' ILE . 70.4 m-80 -149.07 -62.33 0.23 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.023 2.129 . . . . 0.0 108.894 -177.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 24.1 t-80 -159.4 -45.78 0.05 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 115.451 1.648 . . . . 0.0 115.451 172.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -157.25 149.21 22.54 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.114 0.87 . . . . 0.0 112.368 -171.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -152.66 -41.44 0.1 Allowed 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 171.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -34.5 -43.92 0.18 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.794 2.038 . . . . 0.0 114.863 168.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.8 mm -70.9 -32.69 49.47 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 N-CA-C 114.288 1.218 . . . . 0.0 114.288 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -55.67 -40.43 72.27 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.557 -0.714 . . . . 0.0 109.911 167.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 11.5 mt -63.18 -47.47 82.48 Favored 'General case' 0 C--N 1.342 0.245 0 CA-C-O 117.94 -1.028 . . . . 0.0 110.531 174.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.4 HD13 ' HG ' ' A' ' 60' ' ' LEU . 30.3 tp -53.89 -53.17 56.33 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 119.453 1.024 . . . . 0.0 111.646 -179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.3 t -67.23 -39.18 86.18 Favored 'General case' 0 C--O 1.244 0.812 0 CA-C-O 121.628 0.728 . . . . 0.0 111.76 -175.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.76 -41.08 99.06 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 121.535 0.683 . . . . 0.0 110.808 175.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.62 -55.64 12.52 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.226 1.81 . . . . 0.0 110.994 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -57.18 -43.12 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 O-C-N 121.874 -0.516 . . . . 0.0 110.858 -178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.57 -28.2 62.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 118.993 -1.083 . . . . 0.0 113.367 178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -68.45 -24.29 64.7 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.721 1.146 . . . . 0.0 111.137 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.47 -47.42 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.85 -1.156 . . . . 0.0 110.372 172.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -67.07 -45.66 76.66 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 113.777 1.029 . . . . 0.0 113.777 -172.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.0 t -122.07 -32.13 3.76 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.652 1.181 . . . . 0.0 113.204 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.15 -19.56 68.26 Favored Glycine 0 CA--C 1.538 1.507 0 O-C-N 121.123 -0.985 . . . . 0.0 113.308 172.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.91 45.99 17.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 126.667 1.987 . . . . 0.0 113.683 176.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmmt -64.88 140.95 58.92 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.325 -0.86 . . . . 0.0 110.374 160.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 35.6 m120 -137.79 130.85 30.34 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.018 1.327 . . . . 0.0 110.602 177.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -162.68 168.37 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 126.761 2.024 . . . . 0.0 109.796 178.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -57.4 -169.7 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.795 2.038 . . . . 0.0 113.49 162.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.1 -6.47 0.37 Allowed Glycine 0 N--CA 1.474 1.214 0 N-CA-C 118.132 2.013 . . . . 0.0 118.132 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 14.2 m -49.2 -64.66 0.74 Allowed 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 119.93 1.865 . . . . 0.0 111.321 170.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -67.57 -35.82 79.75 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 119.612 1.096 . . . . 0.0 113.191 -174.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -51.52 -55.11 20.82 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 124.486 1.114 . . . . 0.0 110.532 170.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.7 tptt -62.88 -43.86 97.67 Favored 'General case' 0 N--CA 1.435 -1.188 0 C-N-CA 125.007 1.323 . . . . 0.0 112.868 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.409 ' O ' HG22 ' A' ' 59' ' ' THR . 12.7 mptt -55.39 -47.95 75.09 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 120.62 1.555 . . . . 0.0 111.459 172.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.8 tt -71.13 -40.1 71.62 Favored 'General case' 0 N--CA 1.468 0.434 0 O-C-N 120.163 -1.586 . . . . 0.0 112.451 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.548 HG12 ' HA ' ' A' ' 55' ' ' LYS . 3.1 p -79.2 -27.43 13.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 O-C-N 121.689 -0.632 . . . . 0.0 111.859 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.4 t -71.8 -34.27 69.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 120.71 -1.243 . . . . 0.0 112.058 173.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' HG ' HD13 ' A' ' 35' ' ' LEU . 1.1 mm? -46.78 -58.49 3.83 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.646 0.778 . . . . 0.0 110.358 174.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.87 -37.46 76.1 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.977 177.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -56.47 -19.13 13.79 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-O 118.711 -0.662 . . . . 0.0 112.681 178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.01 -33.36 5.44 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 116.837 2.162 . . . . 0.0 116.837 164.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -63.59 -51.61 64.57 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 120.146 1.339 . . . . 0.0 113.234 177.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -70.03 -33.88 72.55 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.055 1.342 . . . . 0.0 112.308 -175.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -91.27 -58.64 2.38 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 126.385 1.874 . . . . 0.0 115.892 -176.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -108.17 -45.47 3.93 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.258 1.577 . . . . 0.0 115.258 -158.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 127.076 2.15 . . . . 0.0 112.317 -173.184 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 112.217 -0.353 . . . . 0.0 112.217 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m 57.07 31.46 19.99 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.669 1.587 . . . . 0.0 115.152 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -72.56 143.07 48.42 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.622 1.169 . . . . 0.0 111.525 178.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 65.9 mtt -100.79 149.35 23.92 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.822 1.249 . . . . 0.0 111.261 178.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 6.0 ttp180 -142.33 143.77 32.91 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.437 1.095 . . . . 0.0 112.056 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.1 mmt -119.24 21.64 12.16 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 114.88 1.437 . . . . 0.0 114.88 -177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.433 ' HA ' ' HE3' ' B' ' 19' ' ' LYS 0.256 88.3 p 36.74 -100.97 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.277 2.231 . . . . 0.0 114.925 -171.622 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -124.25 90.47 3.27 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 119.84 -1.788 . . . . 0.0 112.614 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.6 mt -71.92 -31.13 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 125.206 1.402 . . . . 0.0 110.833 173.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . 0.414 ' HA2' HG21 ' B' ' 59' ' ' THR . . . 89.43 9.2 67.19 Favored Glycine 0 CA--C 1.545 1.924 0 N-CA-C 115.238 0.855 . . . . 0.0 115.238 -167.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -140.14 -71.43 0.38 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.172 1.389 . . . . 0.0 111.901 173.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.93 44.34 13.68 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 116.274 1.953 . . . . 0.0 116.274 169.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -126.12 137.38 53.59 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 115.995 1.85 . . . . 0.0 115.995 -174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.349 2.9 t 50.01 -81.07 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 130.037 3.335 . . . . 0.0 113.586 -175.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.59 -28.87 69.45 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.161 0.984 . . . . 0.0 112.68 171.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -107.19 2.8 25.02 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.54 1.136 . . . . 0.0 112.99 -176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -67.91 -11.82 59.48 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 115.363 1.616 . . . . 0.0 115.363 178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.448 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -46.32 -29.29 1.59 Allowed 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 120.446 1.475 . . . . 0.0 114.03 -175.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 3.0 tptp -48.32 -67.66 0.25 Allowed 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.443 1.497 . . . . 0.0 113.864 164.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.534 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -69.98 -36.68 75.37 Favored 'General case' 0 C--O 1.219 -0.526 0 C-N-CA 126.959 2.104 . . . . 0.0 109.636 -172.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.448 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -49.65 -49.93 45.27 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 129.397 3.079 . . . . 0.0 110.947 166.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.46 -47.85 53.09 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 -175.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.86 -33.05 70.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 126.357 1.863 . . . . 0.0 114.759 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 pt -84.26 -28.98 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.994 1.27 . . . . 0.0 112.625 172.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 30.4 tp -75.45 -27.67 59.0 Favored 'General case' 0 CA--C 1.547 0.828 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 -178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 19.8 pt -82.05 -176.33 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 124.855 1.262 . . . . 0.0 113.571 175.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -62.47 -27.44 69.13 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 116.234 1.938 . . . . 0.0 116.234 -170.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 43.2 p-80 -145.39 149.58 34.99 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.322 0.965 . . . . 0.0 113.281 174.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -75.52 83.78 2.58 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.83 1.652 . . . . 0.0 112.034 -172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -69.84 -43.0 72.86 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 -161.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -37.08 -42.12 0.4 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.533 1.933 . . . . 0.0 114.582 171.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.85 -42.25 95.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.765 0 C-N-CA 124.381 1.072 . . . . 0.0 112.566 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -52.28 -43.51 64.48 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.879 0.872 . . . . 0.0 109.807 172.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -61.52 -48.12 82.5 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.448 -1.263 . . . . 0.0 110.909 174.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -51.88 -55.12 22.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 120.027 1.285 . . . . 0.0 110.907 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 20.0 m -66.03 -41.4 90.98 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.06 0.845 . . . . 0.0 111.851 -175.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.1 t -62.24 -41.52 98.49 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.699 0.761 . . . . 0.0 110.723 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -66.99 -56.6 9.46 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 126.692 1.997 . . . . 0.0 110.903 -178.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.57 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 O-C-N 121.82 -0.55 . . . . 0.0 111.371 -178.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.0 -30.73 65.53 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 118.747 -1.181 . . . . 0.0 113.024 178.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -69.33 -24.37 63.91 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.614 1.097 . . . . 0.0 111.394 177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.38 -47.87 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 O-C-N 120.722 -1.236 . . . . 0.0 109.919 173.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -72.1 -43.31 64.98 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 -170.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.2 t -119.18 -30.91 4.84 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.373 1.069 . . . . 0.0 113.093 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.15 -15.32 72.08 Favored Glycine 0 CA--C 1.54 1.62 0 O-C-N 121.25 -0.907 . . . . 0.0 114.048 171.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.311 72.1 p 53.01 42.49 32.25 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 127.275 2.23 . . . . 0.0 115.336 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -53.94 143.17 22.32 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 121.527 -0.733 . . . . 0.0 110.701 159.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -140.9 117.79 11.1 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.383 1.073 . . . . 0.0 111.384 -172.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 p -162.24 169.74 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 127.317 2.247 . . . . 0.0 109.473 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -62.11 -169.79 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 126.033 1.733 . . . . 0.0 112.003 166.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.49 -7.24 0.23 Allowed Glycine 0 N--CA 1.473 1.115 0 C-N-CA 126.363 1.935 . . . . 0.0 117.869 -176.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -47.18 -64.64 0.73 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 119.763 1.782 . . . . 0.0 111.646 171.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -70.83 -33.62 70.86 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.061 -1.024 . . . . 0.0 113.458 -174.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -52.19 -54.9 25.2 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 124.27 1.028 . . . . 0.0 109.926 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.529 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.6 tptt -61.03 -43.16 99.31 Favored 'General case' 0 N--CA 1.433 -1.284 0 C-N-CA 124.828 1.251 . . . . 0.0 112.106 -179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.625 ' O ' HG22 ' B' ' 59' ' ' THR . 14.0 mptt -54.6 -51.84 64.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-N 120.256 1.389 . . . . 0.0 111.945 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.7 pp -82.06 -22.82 36.16 Favored 'General case' 0 CA--C 1.536 0.426 0 O-C-N 119.79 -1.818 . . . . 0.0 114.65 -174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.529 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.9 p -80.6 -24.68 11.14 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 118.834 0.743 . . . . 0.0 111.885 169.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.625 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.0 t -73.15 -31.01 64.0 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.596 -1.315 . . . . 0.0 112.673 171.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -48.55 -57.35 6.31 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-O 118.355 -0.831 . . . . 0.0 109.573 172.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.06 -37.91 84.88 Favored 'General case' 0 N--CA 1.483 1.2 0 CA-C-N 118.416 0.553 . . . . 0.0 112.14 176.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -53.62 -25.68 18.73 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 118.163 -0.922 . . . . 0.0 112.428 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -120.28 -19.46 7.66 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 168.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -72.9 -48.48 36.85 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 121.142 1.792 . . . . 0.0 112.61 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -70.68 -31.69 68.67 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.437 1.095 . . . . 0.0 112.378 -177.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -99.27 -62.38 1.24 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -176.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -100.76 -38.11 8.42 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 -158.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 127.561 2.344 . . . . 0.0 111.789 -177.073 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 112.096 -0.401 . . . . 0.0 112.096 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.9 p -148.36 165.89 29.7 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.359 1.464 . . . . 0.0 112.439 -178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -119.23 149.28 42.03 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.481 1.513 . . . . 0.0 111.592 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 54.4 ttp -131.79 161.16 33.57 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.41 1.884 . . . . 0.0 110.144 -172.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.409 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 2.8 ttp180 -119.74 150.79 39.8 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.64 1.176 . . . . 0.0 113.57 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.1 mmm -121.85 17.33 11.01 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.442 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 92.4 p 43.15 -95.49 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 128.302 2.641 . . . . 0.0 114.819 -176.101 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.49 89.77 2.83 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 120.388 1.449 . . . . 0.0 110.639 -179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.7 mt -69.43 -32.7 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.059 1.344 . . . . 0.0 110.649 174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.38 6.58 61.18 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 124.436 1.017 . . . . 0.0 113.462 -173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -136.01 -72.05 0.46 Allowed 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.759 1.624 . . . . 0.0 108.147 169.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.91 39.0 31.33 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.472 1.509 . . . . 0.0 113.299 -176.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -58.84 167.46 1.56 Allowed 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 126.248 1.819 . . . . 0.0 112.363 176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.2 t -38.58 -41.91 0.72 Allowed 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 116.987 2.218 . . . . 0.0 116.987 -174.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -78.29 -31.67 49.06 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.345 -1.472 . . . . 0.0 113.774 175.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -93.4 12.04 26.26 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 127.921 2.489 . . . . 0.0 113.174 174.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -74.61 -9.4 58.53 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 125.461 1.504 . . . . 0.0 114.132 -174.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.433 ' HA ' HD23 ' A' ' 21' ' ' LEU . 2.7 pm0 -42.09 -31.6 0.38 Allowed 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 125.917 1.687 . . . . 0.0 113.976 -176.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.1 tptp -51.89 -67.93 0.21 Allowed 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.275 1.83 . . . . 0.0 113.101 166.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.553 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.9 mm? -67.72 -36.46 80.64 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 127.079 2.152 . . . . 0.0 109.782 -173.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -56.24 -52.92 62.69 Favored 'General case' 0 C--O 1.232 0.135 0 C-N-CA 125.007 1.323 . . . . 0.0 108.986 168.332 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.0 tp -69.36 -42.34 75.36 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 -162.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -56.23 -37.52 69.81 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 129.027 2.931 . . . . 0.0 116.164 175.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.5 pt -77.71 -28.78 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 120.287 1.403 . . . . 0.0 112.123 171.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 tp -76.73 -28.76 55.92 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.153 0.981 . . . . 0.0 112.683 -175.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 35.5 pt -81.18 -136.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 C-N-CA 126.069 1.748 . . . . 0.0 111.872 173.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -65.58 11.03 0.08 Allowed 'General case' 0 CA--C 1.556 1.19 0 C-N-CA 127.863 2.465 . . . . 0.0 115.313 177.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 69.28 144.9 0.05 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 129.356 3.062 . . . . 0.0 116.476 178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 52.24 32.87 11.48 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.827 2.051 . . . . 0.0 116.055 165.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.2 t80 -70.0 -26.44 64.07 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 120.475 -1.39 . . . . 0.0 114.685 -174.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -33.67 41.0 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 120.471 -1.393 . . . . 0.0 113.213 175.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.89 -34.08 67.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 C-N-CA 124.056 0.943 . . . . 0.0 111.715 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -56.13 -46.35 79.23 Favored 'General case' 0 C--O 1.241 0.612 0 O-C-N 121.403 -0.811 . . . . 0.0 110.248 174.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.63 -47.59 85.01 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 116.782 -1.58 . . . . 0.0 111.217 170.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -50.68 -55.58 15.87 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 120.947 1.703 . . . . 0.0 111.919 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.6 t -67.58 -39.85 84.85 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 119.443 1.02 . . . . 0.0 111.963 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -60.57 -43.27 97.48 Favored 'General case' 0 CA--C 1.547 0.85 0 CA-C-O 121.84 0.828 . . . . 0.0 110.911 175.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -66.52 -57.18 7.85 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.09 2.156 . . . . 0.0 110.575 -176.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.91 -41.06 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 O-C-N 122.063 -0.398 . . . . 0.0 111.646 -177.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.65 -27.58 63.18 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 118.908 -1.117 . . . . 0.0 113.389 174.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -65.84 -26.72 67.79 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 119.719 1.145 . . . . 0.0 112.16 172.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -78.44 -52.67 15.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 O-C-N 120.474 -1.391 . . . . 0.0 110.208 167.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.98 -42.21 81.15 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.831 1.048 . . . . 0.0 113.831 -166.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.7 t -121.25 -29.61 4.47 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.724 1.21 . . . . 0.0 113.221 179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.19 -16.32 73.03 Favored Glycine 0 CA--C 1.537 1.461 0 CA-C-N 119.508 1.049 . . . . 0.0 113.602 173.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.295 69.7 p 52.74 45.29 28.98 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.966 2.106 . . . . 0.0 114.414 178.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -53.77 141.13 27.76 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.493 0.717 . . . . 0.0 110.719 162.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -146.38 116.51 7.38 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.034 1.334 . . . . 0.0 110.358 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 p -163.76 171.13 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 127.0 2.12 . . . . 0.0 108.942 -174.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -62.08 -171.31 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.514 1.526 . . . . 0.0 111.692 164.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.75 -5.43 0.15 Allowed Glycine 0 N--CA 1.473 1.147 0 N-CA-C 118.256 2.062 . . . . 0.0 118.256 -176.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 85.0 m -47.24 -67.29 0.29 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 120.324 2.062 . . . . 0.0 111.688 169.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -65.66 -35.84 81.93 Favored 'General case' 0 N--CA 1.482 1.133 0 O-C-N 120.898 -1.126 . . . . 0.0 112.952 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -53.21 -56.84 13.31 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 125.061 1.344 . . . . 0.0 110.282 170.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HA ' HG12 ' A' ' 58' ' ' VAL . 23.5 tptt -62.29 -43.92 97.7 Favored 'General case' 0 N--CA 1.438 -1.062 0 CA-C-O 117.026 -1.464 . . . . 0.0 112.626 -177.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.625 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -50.42 -55.96 13.53 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.734 1.606 . . . . 0.0 111.363 170.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -80.4 -24.34 39.76 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 119.92 -1.737 . . . . 0.0 114.627 -171.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.5 p -79.98 -26.45 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 O-C-N 121.671 -0.643 . . . . 0.0 111.531 171.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.7 t -69.89 -34.35 73.43 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 120.753 -1.217 . . . . 0.0 111.321 172.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -48.26 -54.52 13.35 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.503 176.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.39 -36.22 73.96 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 112.474 0.546 . . . . 0.0 112.474 176.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -55.41 -21.22 14.84 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 112.743 0.646 . . . . 0.0 112.743 177.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.428 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.93 -37.95 4.35 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 169.157 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -62.31 -49.08 77.07 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -73.01 -34.08 66.16 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.878 1.271 . . . . 0.0 112.563 -175.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -92.23 -58.02 2.52 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 126.436 1.894 . . . . 0.0 116.071 -177.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -105.34 -43.96 4.85 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.736 1.754 . . . . 0.0 115.736 -159.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.8 m120 . . . . . 0 C--O 1.253 1.248 0 C-N-CA 124.683 1.193 . . . . 0.0 113.243 -170.363 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.589 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m -131.33 22.79 4.79 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 124.719 1.208 . . . . 0.0 113.332 -171.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -86.51 6.23 31.56 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 -166.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 4.5 mpp? -46.59 121.35 3.44 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 125.602 1.561 . . . . 0.0 112.584 -170.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 13.3 ttp180 -67.1 146.71 54.01 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.94 0.896 . . . . 0.0 113.155 -165.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 16.5 mmt -122.99 70.67 1.02 Allowed 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.541 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 48.0 m -48.44 119.33 2.96 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.236 -0.893 . . . . 0.0 112.201 -175.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.439 0.0 OUTLIER 32.94 72.61 0.08 Allowed 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 129.693 3.197 . . . . 0.0 117.083 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.42 HG13 ' H ' ' B' ' 9' ' ' ILE . 1.4 mt -62.25 -34.37 63.61 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.674 0 C-N-CA 126.365 1.866 . . . . 0.0 111.381 170.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.52 -1.89 55.89 Favored Glycine 0 CA--C 1.543 1.813 0 C-N-CA 124.501 1.048 . . . . 0.0 114.925 -168.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -129.76 -67.77 0.74 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 118.795 1.297 . . . . 0.0 110.171 170.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.05 36.84 9.34 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.962 1.705 . . . . 0.0 113.761 -178.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 19.8 m-30 -64.58 172.74 2.49 Favored 'General case' 0 C--O 1.215 -0.756 0 C-N-CA 126.422 1.889 . . . . 0.0 112.399 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -39.41 -43.44 1.22 Allowed 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 116.888 2.181 . . . . 0.0 116.888 -171.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -78.18 -34.1 49.79 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 120.28 -1.512 . . . . 0.0 113.735 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.02 11.59 20.17 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 127.28 2.232 . . . . 0.0 112.962 174.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -71.67 -12.26 61.24 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.418 1.487 . . . . 0.0 114.183 -174.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.45 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.4 pm0 -44.02 -27.95 0.42 Allowed 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.367 1.467 . . . . 0.0 114.613 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.541 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.8 tptp -50.48 -69.78 0.1 Allowed 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.113 1.365 . . . . 0.0 112.711 163.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.673 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.6 mm? -68.12 -37.16 80.82 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 126.321 1.848 . . . . 0.0 110.294 -174.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' B' ' 18' ' ' GLN . 0.1 OUTLIER -56.18 -51.6 67.42 Favored 'General case' 0 C--O 1.232 0.133 0 C-N-CA 124.85 1.26 . . . . 0.0 108.209 170.297 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 52.8 tp -71.77 -40.83 69.03 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 116.316 -2.154 . . . . 0.0 106.539 -164.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -54.18 -40.17 67.3 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 127.237 2.215 . . . . 0.0 115.137 173.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.4 pt -78.72 -26.58 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 121.025 1.738 . . . . 0.0 112.874 173.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.3 tt -75.34 -33.77 61.14 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.593 1.157 . . . . 0.0 112.409 -175.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 25.9 pt -76.37 -170.92 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.91 0 C-N-CA 125.051 1.341 . . . . 0.0 113.446 176.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -45.8 -44.82 14.39 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 127.521 2.328 . . . . 0.0 114.851 -171.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.6 p80 -155.31 158.92 39.51 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.184 1.393 . . . . 0.0 111.609 173.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -56.37 143.05 35.95 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.956 1.303 . . . . 0.0 112.073 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -137.41 -29.93 0.86 Allowed 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 116.218 1.933 . . . . 0.0 116.218 -164.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.35 -36.99 45.57 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.223 1.374 . . . . 0.0 112.984 177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mp -60.08 -38.78 78.26 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 C-N-CA 125.477 1.511 . . . . 0.0 112.264 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 57.1 tt0 -60.03 -41.86 93.16 Favored 'General case' 0 C--O 1.239 0.538 0 O-C-N 121.177 -0.952 . . . . 0.0 110.574 177.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.7 -39.86 95.35 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.244 172.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -56.1 -56.79 16.57 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 120.705 1.593 . . . . 0.0 111.8 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 27.3 t -64.98 -38.98 92.76 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 119.099 0.863 . . . . 0.0 111.528 -175.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.4 t -61.0 -45.63 94.04 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.481 175.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.08 -53.01 35.0 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.159 1.384 . . . . 0.0 111.053 -176.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -59.18 -41.21 83.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.807 -0.558 . . . . 0.0 111.714 -177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -70.2 -27.12 64.25 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 118.674 -1.21 . . . . 0.0 113.321 172.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.1 -28.83 69.71 Favored 'General case' 0 CA--C 1.545 0.77 0 O-C-N 121.01 -1.057 . . . . 0.0 112.501 171.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.94 -52.98 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 O-C-N 120.025 -1.672 . . . . 0.0 109.641 168.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.24 -41.32 85.83 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -165.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -123.66 -31.69 3.43 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.7 1.2 . . . . 0.0 113.324 178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.7 -19.08 74.6 Favored Glycine 0 CA--C 1.536 1.352 0 CA-C-N 119.624 1.102 . . . . 0.0 113.258 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.6 m 56.81 55.81 5.95 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.806 2.042 . . . . 0.0 113.376 -177.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -48.54 135.87 13.79 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.956 0.902 . . . . 0.0 109.519 158.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -139.81 86.52 2.1 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.847 1.259 . . . . 0.0 110.566 -169.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -155.94 167.68 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.873 1.669 . . . . 0.0 110.783 -175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -59.18 -167.9 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.322 2.249 . . . . 0.0 113.237 163.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.98 -7.21 0.29 Allowed Glycine 0 N--CA 1.473 1.158 0 N-CA-C 117.794 1.877 . . . . 0.0 117.794 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 83.2 m -47.94 -65.12 0.62 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 120.202 2.001 . . . . 0.0 111.949 171.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -67.76 -34.63 77.18 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.03 -1.043 . . . . 0.0 113.144 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -53.69 -55.82 22.73 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.608 1.163 . . . . 0.0 109.87 170.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.524 ' HA ' HG12 ' B' ' 58' ' ' VAL . 21.3 tptt -60.67 -44.95 95.86 Favored 'General case' 0 N--CA 1.434 -1.258 0 C-N-CA 124.912 1.285 . . . . 0.0 111.897 -179.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.615 ' O ' HG22 ' B' ' 59' ' ' THR . 13.7 mptt -53.34 -52.4 59.33 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.157 1.344 . . . . 0.0 111.445 174.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.63 -27.55 40.94 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 119.963 -1.711 . . . . 0.0 114.48 -174.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.524 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.6 p -77.28 -24.67 14.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.539 -0.726 . . . . 0.0 111.369 173.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.615 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.3 t -73.91 -34.36 64.35 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 120.719 -1.238 . . . . 0.0 112.418 172.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -48.52 -53.68 17.22 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 118.251 -0.88 . . . . 0.0 109.752 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -36.78 77.39 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 118.875 0.761 . . . . 0.0 112.666 175.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -53.02 -24.16 9.06 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 117.935 -1.031 . . . . 0.0 112.615 177.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 3.7 mmt180 -118.58 -25.79 6.35 Favored 'General case' 0 N--CA 1.484 1.229 0 N-CA-C 116.889 2.181 . . . . 0.0 116.889 166.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -67.26 -46.1 74.7 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.51 1.959 . . . . 0.0 112.695 178.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 21.7 mmm180 -73.49 -34.18 65.19 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 125.131 1.372 . . . . 0.0 112.331 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -94.25 -61.21 1.56 Allowed 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 116.437 2.014 . . . . 0.0 116.437 -176.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -106.17 -41.22 5.41 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 116.341 1.978 . . . . 0.0 116.341 -157.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 12.0 m120 . . . . . 0 C--O 1.253 1.276 0 C-N-CA 125.512 1.525 . . . . 0.0 113.238 -171.744 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.572 0 N-CA-C 111.95 -0.46 . . . . 0.0 111.95 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -86.1 137.43 32.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.199 1.0 . . . . 0.0 111.798 177.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -135.92 146.18 47.06 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.474 1.509 . . . . 0.0 110.94 -178.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 49.8 tpp -101.1 148.93 24.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.19 1.396 . . . . 0.0 111.095 179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.52 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 5.8 ttp180 -137.65 143.08 41.2 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 176.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 89.6 mmm -123.13 21.75 9.63 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 -176.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.481 ' HA ' ' HE3' ' A' ' 19' ' ' LYS . 84.5 p 38.44 -89.26 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 128.654 2.782 . . . . 0.0 116.476 -173.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.31 92.38 3.35 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 120.818 1.645 . . . . 0.0 110.148 -178.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.87 -35.57 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.725 0.81 . . . . 0.0 111.141 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.17 1.75 55.86 Favored Glycine 0 CA--C 1.542 1.726 0 C-N-CA 125.263 1.411 . . . . 0.0 114.413 -175.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -137.51 -59.23 0.68 Allowed 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 118.483 1.142 . . . . 0.0 110.028 168.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.81 42.4 23.4 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.413 1.485 . . . . 0.0 114.522 177.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -95.07 102.95 14.79 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 124.086 0.955 . . . . 0.0 113.506 -163.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.32 3.7 t 53.03 -69.15 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 129.204 3.001 . . . . 0.0 115.411 174.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -68.43 -24.2 64.71 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.58 1.152 . . . . 0.0 112.595 167.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 90.0 mt-10 -103.87 3.71 34.07 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.313 1.445 . . . . 0.0 112.347 175.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -68.77 -11.18 60.06 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 179.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.11 -30.58 0.78 Allowed 'General case' 0 N--CA 1.491 1.608 0 CA-C-N 120.261 1.391 . . . . 0.0 114.289 -173.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.3 tptp -49.6 -68.37 0.18 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.499 1.52 . . . . 0.0 113.401 166.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.557 ' H ' HD22 ' A' ' 20' ' ' LEU . 1.9 mm? -68.18 -37.26 80.75 Favored 'General case' 0 C--O 1.22 -0.486 0 C-N-CA 127.279 2.232 . . . . 0.0 109.561 -173.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -50.91 -49.31 59.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 129.323 3.049 . . . . 0.0 111.075 167.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.1 tt -72.0 -48.37 45.26 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 107.138 -1.43 . . . . 0.0 107.138 -174.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -55.55 -38.94 69.96 Favored 'General case' 0 N--CA 1.446 -0.642 0 C-N-CA 126.305 1.842 . . . . 0.0 114.422 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 pt -81.26 -28.46 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 120.113 1.324 . . . . 0.0 112.562 175.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.9 tp -75.99 -27.58 57.49 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 pt -81.29 -169.59 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.874 0 C-N-CA 124.848 1.259 . . . . 0.0 113.233 173.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -52.71 -39.85 62.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.048 2.139 . . . . 0.0 114.929 -172.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -153.95 145.33 23.05 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.759 1.224 . . . . 0.0 112.119 -179.39 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -63.9 69.71 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 130.022 3.329 . . . . 0.0 113.603 -173.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.682 ' CE2' HD11 ' A' ' 34' ' ' LEU . 27.9 t80 -55.62 -41.26 73.24 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 -161.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.603 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -38.15 -41.19 0.57 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 127.472 2.309 . . . . 0.0 115.833 -176.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.15 -28.73 23.75 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.786 0 O-C-N 121.153 -0.967 . . . . 0.0 111.929 -176.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 51.9 tt0 -61.2 -43.36 99.0 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.549 -1.344 . . . . 0.0 110.313 171.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.682 HD11 ' CE2' ' A' ' 30' ' ' TYR . 4.3 mp -57.6 -50.34 73.45 Favored 'General case' 0 C--O 1.222 -0.389 0 CA-C-O 117.541 -1.219 . . . . 0.0 110.146 170.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.5 tt -46.18 -53.96 9.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.891 1.276 . . . . 0.0 111.638 178.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 46.2 t -67.71 -40.75 84.25 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 119.725 1.148 . . . . 0.0 112.656 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.16 -39.12 81.46 Favored 'General case' 0 CA--C 1.553 1.067 0 CA-C-O 122.571 1.176 . . . . 0.0 110.788 174.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 55.0 mm-40 -76.16 -51.06 12.92 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 127.02 2.128 . . . . 0.0 111.248 -174.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.427 HG23 HD12 ' A' ' 57' ' ' LEU . 2.2 pp -56.46 -41.61 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.517 0 CA-C-N 119.269 0.941 . . . . 0.0 110.665 176.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -73.72 -27.66 61.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 119.393 -0.923 . . . . 0.0 113.225 177.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -65.59 -24.99 67.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 119.875 1.216 . . . . 0.0 111.475 172.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -83.18 -48.89 17.23 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 120.692 -1.255 . . . . 0.0 110.539 172.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -66.07 -45.92 79.59 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.8 t -123.62 -29.29 3.76 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.773 1.229 . . . . 0.0 113.101 -175.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.92 -17.22 71.31 Favored Glycine 0 CA--C 1.54 1.652 0 O-C-N 121.177 -0.952 . . . . 0.0 113.606 168.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.315 75.6 p 54.88 41.13 32.15 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 127.14 2.176 . . . . 0.0 115.132 177.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -59.05 140.18 56.06 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.63 -0.669 . . . . 0.0 110.254 159.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -139.5 125.49 19.8 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.272 1.029 . . . . 0.0 112.361 -174.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 p -163.96 169.09 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 127.425 2.29 . . . . 0.0 109.303 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.11 -159.83 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 125.422 1.489 . . . . 0.0 112.269 166.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -56.77 -6.67 1.83 Allowed Glycine 0 N--CA 1.469 0.887 0 N-CA-C 117.424 1.73 . . . . 0.0 117.424 -171.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.2 m -49.49 -60.45 2.84 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 119.652 1.726 . . . . 0.0 111.11 170.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -69.56 -37.11 76.89 Favored 'General case' 0 N--CA 1.477 0.92 0 CA-C-N 119.732 1.151 . . . . 0.0 113.154 -175.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -49.89 -54.83 17.13 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.91 0.884 . . . . 0.0 110.244 169.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 58' ' ' VAL . 24.0 tptt -61.29 -44.38 97.31 Favored 'General case' 0 N--CA 1.434 -1.251 0 C-N-CA 125.449 1.5 . . . . 0.0 112.824 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.514 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -51.81 -53.65 37.71 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 120.931 1.696 . . . . 0.0 111.525 171.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.427 HD12 HG23 ' A' ' 39' ' ' ILE . 3.3 mm? -79.5 -23.77 42.75 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 119.84 -1.787 . . . . 0.0 113.609 -172.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.483 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -84.57 -25.6 7.11 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 119.277 0.944 . . . . 0.0 112.802 170.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.0 t -70.95 -34.36 71.38 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.225 -1.547 . . . . 0.0 111.638 172.402 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.79 -57.02 4.63 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.387 1.075 . . . . 0.0 110.4 173.182 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CD2' ' HG3' ' A' ' 65' ' ' ARG 0.283 0.0 OUTLIER -76.06 -29.12 57.89 Favored 'General case' 0 N--CA 1.484 1.23 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 178.992 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -57.92 -23.27 52.69 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 118.662 -0.685 . . . . 0.0 111.673 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.494 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -108.0 -41.22 5.01 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 115.437 1.644 . . . . 0.0 115.437 169.095 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -60.0 -49.67 76.77 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 61' ' ' TYR . 33.8 mmm-85 -68.71 -39.46 80.45 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 125.49 1.516 . . . . 0.0 111.868 -174.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -97.26 -57.1 2.34 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 127.104 2.161 . . . . 0.0 115.599 -168.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.93 -45.21 5.77 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.22 1.563 . . . . 0.0 115.22 -165.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 m120 . . . . . 0 C--O 1.253 1.245 0 C-N-CA 124.931 1.292 . . . . 0.0 113.229 -171.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.497 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -139.77 156.01 47.0 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.104 1.362 . . . . 0.0 112.102 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -151.89 162.24 41.36 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 125.249 1.42 . . . . 0.0 111.824 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -68.0 146.18 53.79 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.331 1.052 . . . . 0.0 111.152 168.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.537 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 31.1 ttp180 -124.03 145.96 48.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.456 1.502 . . . . 0.0 111.265 179.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 15.1 mmt -123.44 74.32 1.24 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 121.614 0.721 . . . . 0.0 109.298 176.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.554 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 14.0 m -47.61 118.79 2.4 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.067 -175.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.46 0.0 OUTLIER 32.47 72.11 0.08 Allowed 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 129.844 3.258 . . . . 0.0 117.656 -179.769 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.421 ' H ' HG13 ' B' ' 9' ' ' ILE . 1.3 mt -61.98 -32.55 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.899 2.079 . . . . 0.0 112.816 172.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.7 4.76 51.93 Favored Glycine 0 CA--C 1.545 1.946 0 N-CA-C 115.612 1.005 . . . . 0.0 115.612 -168.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -144.19 -70.38 0.3 Allowed 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 118.833 1.317 . . . . 0.0 112.496 177.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.21 43.75 10.62 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 116.674 2.102 . . . . 0.0 116.674 167.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -123.77 135.19 53.67 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -174.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.35 3.2 t 49.15 -81.77 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 129.859 3.263 . . . . 0.0 113.725 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -64.02 -30.33 71.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.365 1.066 . . . . 0.0 112.577 170.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -105.3 2.51 28.99 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.844 1.258 . . . . 0.0 112.977 -177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -64.22 -14.14 53.6 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 177.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.474 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.6 pm0 -45.4 -28.59 0.9 Allowed 'General case' 0 N--CA 1.488 1.464 0 CA-C-N 120.711 1.596 . . . . 0.0 114.662 -174.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.554 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 5.1 tptp -51.73 -64.9 0.66 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.315 1.446 . . . . 0.0 113.401 166.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.587 HD22 ' H ' ' B' ' 20' ' ' LEU . 1.8 mm? -69.78 -34.84 74.31 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 126.844 2.058 . . . . 0.0 110.177 -174.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.474 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -56.57 -45.32 81.38 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 129.31 3.044 . . . . 0.0 111.107 169.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.425 HD12 ' HD3' ' B' ' 5' ' ' ARG . 2.5 tm? -73.14 -44.49 60.07 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 118.321 -1.352 . . . . 0.0 107.836 -178.048 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -59.86 -26.51 65.91 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 126.121 1.768 . . . . 0.0 115.215 -179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.4 pt -88.3 -28.77 5.38 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 119.732 1.151 . . . . 0.0 112.961 168.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 53.7 tp -69.25 -28.84 66.68 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.254 1.022 . . . . 0.0 112.465 177.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -86.13 -144.7 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.98 1.712 . . . . 0.0 112.149 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -65.67 18.58 0.02 OUTLIER 'General case' 0 CA--C 1.558 1.252 0 C-N-CA 128.51 2.724 . . . . 0.0 115.636 178.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 23.7 m80 68.35 152.81 0.09 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 129.259 3.024 . . . . 0.0 116.881 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . 0.273 12.5 pt-20 50.1 21.07 0.69 Allowed 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 118.713 2.857 . . . . 0.0 118.713 163.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -60.92 -31.85 71.35 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 120.396 -1.44 . . . . 0.0 114.754 -171.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.51 -35.04 12.33 Favored 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 174.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.39 -32.22 25.21 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 123.795 0.838 . . . . 0.0 111.792 -175.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.23 -43.86 92.33 Favored 'General case' 0 C--O 1.244 0.778 0 O-C-N 120.899 -1.126 . . . . 0.0 110.433 173.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -58.03 -51.72 68.49 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-O 116.695 -1.621 . . . . 0.0 110.481 168.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.4 tt -46.45 -53.74 10.55 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 120.489 1.495 . . . . 0.0 111.911 -178.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 12.2 m -63.92 -50.04 70.25 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-N 119.163 0.892 . . . . 0.0 110.966 -179.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 7.9 t -60.6 -34.17 73.83 Favored 'General case' 0 CA--C 1.552 1.036 0 O-C-N 121.106 -0.996 . . . . 0.0 111.093 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -73.54 -51.53 16.66 Favored 'General case' 0 CA--C 1.521 -0.157 0 C-N-CA 127.258 2.223 . . . . 0.0 111.814 -176.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.64 -38.29 56.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.447 0 CA-C-N 119.252 0.933 . . . . 0.0 111.268 176.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 m-80 -73.15 -27.69 61.81 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 173.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -61.52 -33.4 73.75 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.154 1.343 . . . . 0.0 111.399 170.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.37 -51.9 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 O-C-N 120.487 -1.383 . . . . 0.0 109.986 171.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -68.65 -45.73 71.03 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -167.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 9.8 t -118.3 -28.14 5.85 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.813 1.245 . . . . 0.0 113.098 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -71.25 -16.13 75.12 Favored Glycine 0 CA--C 1.538 1.485 0 CA-C-N 119.773 1.169 . . . . 0.0 113.131 172.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.276 72.4 p 52.87 57.57 6.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 127.089 2.156 . . . . 0.0 113.795 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm -49.22 142.99 6.53 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.548 1.139 . . . . 0.0 111.502 166.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -141.68 84.41 1.9 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.439 1.496 . . . . 0.0 110.551 -172.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.9 p -155.3 167.5 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 126.491 1.916 . . . . 0.0 109.935 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -62.54 -169.97 0.02 OUTLIER 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.121 1.769 . . . . 0.0 112.037 167.306 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.7 -7.2 0.25 Allowed Glycine 0 N--CA 1.471 1.02 0 C-N-CA 126.364 1.935 . . . . 0.0 117.885 -176.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 96.1 m -47.87 -64.04 0.9 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 120.285 2.043 . . . . 0.0 111.458 170.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 2.0 t -68.39 -32.51 72.63 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.819 -1.176 . . . . 0.0 113.048 -175.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -56.93 -53.29 59.66 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.491 1.117 . . . . 0.0 110.598 170.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.513 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.0 tptt -61.97 -42.31 98.98 Favored 'General case' 0 N--CA 1.434 -1.248 0 C-N-CA 125.309 1.444 . . . . 0.0 112.388 -179.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -59.11 -44.23 91.97 Favored 'General case' 0 N--CA 1.485 1.287 0 CA-C-N 120.685 1.584 . . . . 0.0 111.412 172.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.8 tt -68.35 -41.57 80.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 120.313 -1.492 . . . . 0.0 112.874 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.513 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.1 p -82.75 -26.53 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 C-N-CA 123.634 0.774 . . . . 0.0 112.082 -178.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.2 t -71.19 -35.01 71.43 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.007 -1.058 . . . . 0.0 112.326 173.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.69 -56.72 9.11 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-O 119.156 -0.45 . . . . 0.0 110.77 176.312 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.8 -36.76 78.66 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-O 119.196 -0.431 . . . . 0.0 112.061 176.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -54.22 -24.37 18.25 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.453 0.701 . . . . 0.0 112.451 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -43.89 4.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 170.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -65.72 -48.85 70.57 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -174.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -73.45 -34.56 65.47 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 125.057 1.343 . . . . 0.0 112.224 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 -91.61 -62.4 1.44 Allowed 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 116.067 1.877 . . . . 0.0 116.067 -179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -98.99 -40.39 8.07 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.244 1.572 . . . . 0.0 115.244 -160.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 10.7 m120 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 125.289 1.435 . . . . 0.0 113.448 -173.153 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 111.698 -0.561 . . . . 0.0 111.698 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.3 p -78.5 167.6 21.05 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.143 1.377 . . . . 0.0 113.435 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t-80 -141.59 167.81 21.27 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.598 1.559 . . . . 0.0 111.312 177.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.4 ptt? -71.73 148.39 46.43 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.555 -0.716 . . . . 0.0 111.356 163.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.611 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 47.7 ttp180 -139.27 143.77 38.08 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.655 1.582 . . . . 0.0 110.466 -177.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 16.3 mmt -124.49 67.66 1.08 Allowed 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 121.57 0.7 . . . . 0.0 110.562 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.433 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 72.9 m -73.66 106.31 5.36 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 118.714 -0.66 . . . . 0.0 109.743 177.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -128.85 143.35 50.88 Favored 'General case' 0 CA--C 1.534 0.329 1 C-N-CA 135.653 5.581 . . . . 0.0 106.507 -4.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -89.39 -35.68 7.87 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 O-C-N 121.747 -0.596 . . . . 0.0 112.083 -177.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.89 1.94 59.73 Favored Glycine 0 CA--C 1.543 1.817 0 C-N-CA 124.819 1.2 . . . . 0.0 114.195 -170.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -135.11 -60.27 0.77 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 118.688 1.244 . . . . 0.0 109.836 168.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.68 41.29 18.82 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 125.364 1.466 . . . . 0.0 114.597 176.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -92.54 99.86 12.5 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 -161.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.33 6.0 t 53.29 -69.09 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 129.043 2.937 . . . . 0.0 115.897 171.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -65.37 -26.99 68.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 120.227 1.376 . . . . 0.0 112.172 163.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -100.0 5.17 45.14 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 125.738 1.615 . . . . 0.0 112.342 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -68.03 -9.58 47.0 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.477 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.7 pm0 -45.51 -29.05 1.04 Allowed 'General case' 0 N--CA 1.492 1.648 0 CA-C-N 120.621 1.555 . . . . 0.0 114.263 -174.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.611 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.6 tptt -47.99 -71.48 0.07 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.44 1.896 . . . . 0.0 113.149 164.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -68.05 -34.21 76.02 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 127.7 2.4 . . . . 0.0 110.052 -173.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.477 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -55.04 -48.66 73.13 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 129.426 3.09 . . . . 0.0 111.099 168.947 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.87 -39.82 66.14 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 116.542 -2.063 . . . . 0.0 107.772 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 93.6 m-20 -64.35 -25.24 67.95 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 -178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.3 pt -88.65 -27.16 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 120.131 1.332 . . . . 0.0 112.765 167.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.8 tp -72.1 -29.92 64.58 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.209 1.004 . . . . 0.0 112.706 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 pt -85.5 -172.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.95 1.3 . . . . 0.0 113.835 175.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -54.03 -44.25 70.83 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.265 2.226 . . . . 0.0 114.59 -173.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -141.9 150.52 41.62 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.029 1.332 . . . . 0.0 112.42 -171.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -73.79 73.43 1.56 Allowed 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.436 1.895 . . . . 0.0 112.935 -170.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -62.76 -27.47 69.31 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 116.316 1.969 . . . . 0.0 116.316 -161.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.42 -36.0 53.36 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 120.143 1.338 . . . . 0.0 112.989 173.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.409 HG21 HG21 ' B' ' 32' ' ' ILE . 7.6 mm -72.05 -33.02 45.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.277 -0.889 . . . . 0.0 113.343 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -56.1 -44.17 78.8 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.064 0.393 . . . . 0.0 110.747 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.98 -45.98 91.25 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 116.217 -1.849 . . . . 0.0 111.965 171.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.8 tt -53.2 -54.66 32.72 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.583 1.992 . . . . 0.0 110.576 -178.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 9.5 t -66.58 -38.62 87.45 Favored 'General case' 0 C--O 1.243 0.762 0 CA-C-N 118.787 0.721 . . . . 0.0 112.359 -177.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.0 t -61.6 -43.4 98.92 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-O 122.381 1.086 . . . . 0.0 110.918 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -68.07 -54.9 14.88 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.513 2.325 . . . . 0.0 110.741 -176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -43.04 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.197 0 CA-C-O 118.791 -0.623 . . . . 0.0 111.014 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.7 -28.0 63.4 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 119.112 -1.035 . . . . 0.0 113.617 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -67.6 -27.75 67.18 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.438 1.017 . . . . 0.0 110.931 175.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.57 -44.1 16.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.118 -0.989 . . . . 0.0 110.602 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -67.55 -49.01 65.27 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.689 1.196 . . . . 0.0 113.606 -174.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.3 t -122.41 -31.83 3.72 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.564 1.145 . . . . 0.0 113.233 -176.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -64.4 -18.01 62.67 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 121.129 -0.982 . . . . 0.0 113.307 170.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.8 m 56.56 47.11 19.23 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 126.708 2.003 . . . . 0.0 112.946 174.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.64 157.85 8.69 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.508 1.123 . . . . 0.0 113.35 170.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -145.19 110.08 5.1 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.042 0.937 . . . . 0.0 111.817 -175.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.78 165.08 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 126.416 1.887 . . . . 0.0 110.141 175.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -57.62 -171.17 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 127.448 2.299 . . . . 0.0 113.807 164.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.72 -6.48 0.51 Allowed Glycine 0 N--CA 1.474 1.182 0 N-CA-C 117.949 1.94 . . . . 0.0 117.949 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -48.38 -62.19 1.62 Allowed 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 120.006 1.903 . . . . 0.0 111.642 170.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.4 t -69.11 -36.22 77.3 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.454 1.024 . . . . 0.0 113.173 -175.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -51.83 -54.46 28.7 Favored 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 124.211 1.004 . . . . 0.0 110.571 170.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -63.28 -44.02 96.25 Favored 'General case' 0 N--CA 1.434 -1.233 0 C-N-CA 125.331 1.452 . . . . 0.0 112.564 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.422 ' O ' HG22 ' A' ' 59' ' ' THR . 12.7 mptt -53.41 -48.41 68.72 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 120.469 1.486 . . . . 0.0 111.289 169.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.7 tt -71.21 -37.7 72.05 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 119.913 -1.742 . . . . 0.0 112.803 -174.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.494 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.4 p -81.5 -27.38 10.18 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.661 0 C-N-CA 123.232 0.613 . . . . 0.0 112.266 178.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.422 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.4 t -71.83 -33.26 68.35 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.616 -1.303 . . . . 0.0 112.338 173.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.59 -57.22 5.71 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.597 1.159 . . . . 0.0 109.64 175.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.45 -37.45 77.36 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -55.28 -21.13 13.31 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 118.493 -0.765 . . . . 0.0 112.534 178.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.476 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -113.61 -35.13 5.31 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 116.268 1.951 . . . . 0.0 116.268 168.062 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -63.58 -51.32 65.86 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.441 1.019 . . . . 0.0 113.478 177.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -71.22 -34.2 70.61 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.565 1.146 . . . . 0.0 112.517 -176.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -87.62 -58.67 2.49 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 126.458 1.903 . . . . 0.0 115.7 -178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -107.53 -48.44 3.43 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -160.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 . . . . . 0 C--O 1.254 1.301 0 C-N-CA 126.561 1.945 . . . . 0.0 112.533 -171.897 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m 59.57 18.83 7.37 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 116.522 2.045 . . . . 0.0 116.522 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -135.18 153.17 52.06 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 126.048 1.739 . . . . 0.0 110.825 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -123.26 155.7 36.68 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.467 1.507 . . . . 0.0 111.407 177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.53 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 10.1 ttp180 -128.05 141.99 51.35 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.246 1.018 . . . . 0.0 112.646 -175.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 68.6 mmm -124.75 66.05 1.1 Allowed 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 176.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.445 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 30.1 m -51.17 114.75 1.28 Allowed 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.973 0.892 . . . . 0.0 112.318 -172.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.446 ' O ' ' HE2' ' B' ' 56' ' ' LYS 0.303 3.3 mt 52.92 71.16 0.51 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 129.128 2.971 . . . . 0.0 114.267 177.311 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 mt -69.62 -36.08 69.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.416 1.086 . . . . 0.0 110.907 167.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.69 2.86 32.52 Favored Glycine 0 CA--C 1.543 1.832 0 C-N-CA 125.113 1.339 . . . . 0.0 115.452 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -140.97 -45.09 0.39 Allowed 'General case' 0 N--CA 1.486 1.355 0 CA-C-N 119.496 1.648 . . . . 0.0 112.154 166.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 7.0 mtm180 45.75 51.35 10.36 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.2 2.2 . . . . 0.0 115.361 174.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 8.7 t80 -111.18 113.53 26.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -159.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.324 3.5 t 51.56 -72.09 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 129.238 3.015 . . . . 0.0 114.542 179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 27.6 mm-40 -65.47 -29.12 69.74 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.803 1.241 . . . . 0.0 112.683 168.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -105.35 7.6 33.37 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.914 1.286 . . . . 0.0 112.582 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -71.8 -10.16 59.36 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 115.271 1.582 . . . . 0.0 115.271 -179.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.4 ' HA ' HD23 ' B' ' 21' ' ' LEU . 2.6 pm0 -43.74 -31.55 0.83 Allowed 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 125.473 1.509 . . . . 0.0 114.248 -176.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.53 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 1.2 tptt -49.76 -67.08 0.29 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.797 1.639 . . . . 0.0 112.921 166.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.511 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -70.71 -36.56 73.29 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 127.275 2.23 . . . . 0.0 109.941 -173.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.415 ' O ' HD12 ' B' ' 21' ' ' LEU . 0.1 OUTLIER -54.7 -52.96 60.78 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 124.834 1.254 . . . . 0.0 108.239 168.805 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.69 -46.27 69.48 Favored 'General case' 0 C--N 1.348 0.511 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 -162.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -53.05 -43.66 66.83 Favored 'General case' 0 N--CA 1.448 -0.562 0 C-N-CA 127.891 2.476 . . . . 0.0 115.682 175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -76.4 -26.86 17.1 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 120.935 1.698 . . . . 0.0 112.256 175.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 33.0 tp -79.05 -30.51 44.07 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.885 0.874 . . . . 0.0 113.0 -176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.8 pt -79.3 -169.25 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.929 0 C-N-CA 124.842 1.257 . . . . 0.0 113.441 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 33.0 m-80 -52.71 -37.81 59.65 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.26 2.224 . . . . 0.0 114.915 -172.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 -151.99 150.38 29.93 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.514 1.126 . . . . 0.0 112.987 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.03 80.3 0.93 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.314 1.846 . . . . 0.0 112.041 -172.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -71.94 -27.76 63.01 Favored 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -160.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.13 -35.62 48.84 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 120.214 1.37 . . . . 0.0 113.211 179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.409 HG21 HG21 ' A' ' 32' ' ' ILE . 2.0 mp -65.0 -38.03 81.76 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 C-N-CA 124.053 0.941 . . . . 0.0 111.99 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -58.16 -43.65 87.51 Favored 'General case' 0 C--O 1.24 0.572 0 O-C-N 121.35 -0.844 . . . . 0.0 110.09 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -58.81 -51.04 71.7 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 116.273 -1.823 . . . . 0.0 110.04 170.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 21.5 tp -49.03 -53.53 19.73 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 121.027 1.74 . . . . 0.0 112.047 -176.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 25.4 t -68.6 -41.91 78.89 Favored 'General case' 0 C--O 1.245 0.855 0 CA-C-O 121.407 0.622 . . . . 0.0 111.703 -176.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.91 -40.68 94.04 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 122.057 0.932 . . . . 0.0 111.551 177.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -71.54 -55.38 7.94 Favored 'General case' 0 C--O 1.235 0.291 0 C-N-CA 127.931 2.492 . . . . 0.0 110.76 -174.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.18 -41.86 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 O-C-N 121.623 -0.673 . . . . 0.0 111.31 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.09 -28.58 63.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 118.973 -1.091 . . . . 0.0 113.522 176.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -68.73 -24.96 64.52 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.77 1.168 . . . . 0.0 110.918 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.9 mp -84.66 -44.31 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 O-C-N 120.767 -1.208 . . . . 0.0 110.548 172.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -66.78 -49.39 66.03 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 -174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 10.3 t -120.21 -30.64 4.58 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.708 1.203 . . . . 0.0 112.939 -176.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.09 -18.42 70.95 Favored Glycine 0 CA--C 1.54 1.621 0 O-C-N 121.257 -0.902 . . . . 0.0 113.633 169.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.302 67.7 p 53.16 42.3 32.15 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 127.275 2.23 . . . . 0.0 115.125 177.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -57.81 146.03 33.0 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.681 -0.637 . . . . 0.0 110.748 162.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -141.94 127.03 18.44 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.089 0.956 . . . . 0.0 112.161 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 5.2 p -163.43 169.73 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 127.537 2.335 . . . . 0.0 108.99 177.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -56.23 -171.01 0.0 OUTLIER 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.513 1.925 . . . . 0.0 113.65 162.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.09 -6.65 0.39 Allowed Glycine 0 N--CA 1.476 1.304 0 N-CA-C 117.798 1.879 . . . . 0.0 117.798 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 25.9 m -49.53 -64.7 0.73 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 119.762 1.781 . . . . 0.0 110.435 169.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.3 t -65.56 -41.24 93.19 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 120.234 1.379 . . . . 0.0 112.381 -174.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 -46.68 -54.88 8.69 Favored 'General case' 0 N--CA 1.468 0.446 0 C-N-CA 124.451 1.101 . . . . 0.0 111.068 172.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.464 ' HA ' HG12 ' B' ' 58' ' ' VAL . 18.4 tptt -61.3 -42.06 98.03 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 116.84 -1.552 . . . . 0.0 112.894 -179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.463 ' O ' HG22 ' B' ' 59' ' ' THR . 1.1 mptm? -54.15 -52.46 61.04 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-N 121.129 1.786 . . . . 0.0 111.957 169.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.58 -35.91 75.8 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 119.913 -1.742 . . . . 0.0 112.222 -174.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.464 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.8 p -82.67 -26.43 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 178.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.463 HG22 ' O ' ' B' ' 56' ' ' LYS . 4.2 t -68.93 -33.26 73.44 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.494 -1.379 . . . . 0.0 111.771 171.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -48.45 -54.75 13.02 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-O 118.533 -0.746 . . . . 0.0 110.359 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.4 -38.8 85.23 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 118.521 0.601 . . . . 0.0 111.892 175.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -56.65 -19.67 17.48 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-O 118.682 -0.675 . . . . 0.0 112.552 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -113.92 -29.38 7.06 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 116.037 1.865 . . . . 0.0 116.037 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -72.67 -45.31 59.56 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 121.598 1.999 . . . . 0.0 113.247 -176.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -71.63 -32.7 68.25 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 124.909 1.283 . . . . 0.0 112.126 178.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -102.53 -62.94 1.21 Allowed 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 116.898 2.185 . . . . 0.0 116.898 -174.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -95.14 -42.42 8.59 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -160.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 C--O 1.252 1.231 0 C-N-CA 127.669 2.388 . . . . 0.0 111.667 -175.556 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.6 m -137.23 155.84 49.02 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.217 1.407 . . . . 0.0 112.109 -175.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m-70 54.3 33.66 18.84 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.697 1.599 . . . . 0.0 114.402 175.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.7 tpp -65.21 109.54 2.25 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.337 -0.852 . . . . 0.0 111.338 -173.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.463 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 10.4 ttp85 -68.09 149.72 49.29 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.353 1.461 . . . . 0.0 112.175 -172.341 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.78 13.45 11.53 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 116.395 1.998 . . . . 0.0 116.395 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 55.5 m 48.37 -96.0 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.796 2.038 . . . . 0.0 115.159 -175.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.1 mt -131.21 95.92 3.9 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 121.169 1.804 . . . . 0.0 110.463 -178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -76.99 -39.06 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 C-N-CA 124.26 1.024 . . . . 0.0 110.778 179.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 108.27 4.31 33.04 Favored Glycine 0 CA--C 1.545 1.95 0 C-N-CA 125.818 1.675 . . . . 0.0 114.986 -175.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 pm0 -140.28 -59.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.11 1.364 . . . . 0.0 110.576 166.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.55 35.54 21.14 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 125.406 1.482 . . . . 0.0 114.063 -179.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.0 m-30 -57.08 164.46 1.65 Allowed 'General case' 0 C--O 1.216 -0.66 0 C-N-CA 125.405 1.482 . . . . 0.0 111.479 176.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.3 t -33.74 -43.44 0.13 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.866 2.543 . . . . 0.0 117.866 -175.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -78.1 -29.85 49.22 Favored 'General case' 0 N--CA 1.485 1.276 0 O-C-N 120.108 -1.62 . . . . 0.0 113.883 175.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -94.24 6.15 49.54 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 128.861 2.865 . . . . 0.0 112.809 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -72.27 -10.36 59.68 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.333 1.453 . . . . 0.0 114.069 -175.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.8 pm0 -44.69 -28.91 0.67 Allowed 'General case' 0 N--CA 1.49 1.527 0 C-N-CA 124.999 1.32 . . . . 0.0 114.125 -174.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.5 tptp -49.19 -70.58 0.08 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.143 1.777 . . . . 0.0 113.427 163.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.505 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -66.68 -37.28 84.42 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 127.644 2.378 . . . . 0.0 109.754 -173.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.45 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.3 OUTLIER -53.03 -47.76 68.13 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 129.78 3.232 . . . . 0.0 111.424 168.46 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -75.3 -41.81 56.13 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.981 -1.488 . . . . 0.0 107.89 -175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -58.16 -34.46 70.33 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.356 1.862 . . . . 0.0 114.679 178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.3 pt -84.17 -28.13 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-N 119.175 0.898 . . . . 0.0 113.316 171.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.6 tt -71.78 -33.2 68.39 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.207 1.003 . . . . 0.0 112.562 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 21.4 pt -79.59 -177.41 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 124.658 1.183 . . . . 0.0 113.649 176.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -64.89 -28.86 69.83 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 115.765 1.765 . . . . 0.0 115.765 -167.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -146.53 155.41 42.5 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.185 0.994 . . . . 0.0 112.766 168.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -64.51 149.41 48.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.412 1.085 . . . . 0.0 112.693 175.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.408 ' CE2' HD21 ' A' ' 34' ' ' LEU . 37.3 t80 -141.12 -38.29 0.42 Allowed 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -163.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.78 -43.68 1.47 Allowed 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.506 1.522 . . . . 0.0 113.714 167.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mp -68.62 -39.42 80.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 123.681 0.792 . . . . 0.0 111.915 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -56.66 -40.95 76.4 Favored 'General case' 0 C--O 1.242 0.698 0 O-C-N 121.004 -1.06 . . . . 0.0 110.276 172.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.408 HD21 ' CE2' ' A' ' 30' ' ' TYR . 8.6 mt -59.03 -54.23 49.45 Favored 'General case' 0 C--N 1.345 0.392 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.667 171.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 18.9 tp -49.06 -55.51 11.88 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 124.318 1.047 . . . . 0.0 111.583 -176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.3 t -66.48 -43.16 86.19 Favored 'General case' 0 C--O 1.249 1.057 0 CA-C-O 121.815 0.817 . . . . 0.0 112.107 -174.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.0 t -60.16 -41.53 93.0 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.75 0.786 . . . . 0.0 110.594 174.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.458 ' HB3' HD11 ' A' ' 57' ' ' LEU . 32.0 mm-40 -74.4 -49.83 20.97 Favored 'General case' 0 CA--C 1.528 0.124 0 C-N-CA 125.771 1.628 . . . . 0.0 111.378 -171.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 57' ' ' LEU . 1.9 pp -57.59 -42.27 80.9 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 O-C-N 121.543 -0.723 . . . . 0.0 110.843 175.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.64 -27.1 62.86 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 118.273 -1.371 . . . . 0.0 113.31 176.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -69.82 -23.24 63.28 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 120.864 -1.147 . . . . 0.0 111.589 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.09 -46.85 17.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 O-C-N 120.303 -1.498 . . . . 0.0 110.35 171.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -65.51 -49.72 67.93 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.333 1.053 . . . . 0.0 113.502 -173.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.0 t -115.51 -32.64 5.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.516 1.126 . . . . 0.0 112.771 -179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.9 -15.15 73.76 Favored Glycine 0 CA--C 1.539 1.561 0 O-C-N 121.297 -0.877 . . . . 0.0 114.487 175.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.298 78.2 p 53.21 38.28 27.19 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.004 2.122 . . . . 0.0 115.163 179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm -75.38 0.06 18.19 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 116.833 2.16 . . . . 0.0 116.833 175.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -49.28 131.36 20.02 Favored 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 127.881 2.473 . . . . 0.0 113.884 -173.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.1 m -130.17 -158.44 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 126.478 1.911 . . . . 0.0 111.305 174.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -57.82 -176.66 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.583 1.953 . . . . 0.0 113.805 164.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.55 -10.76 1.55 Allowed Glycine 0 N--CA 1.474 1.197 0 N-CA-C 117.378 1.711 . . . . 0.0 117.378 -177.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 97.9 m -46.72 -61.84 1.66 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 119.723 1.762 . . . . 0.0 110.983 166.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.0 t -70.41 -36.59 74.12 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 120.989 -1.069 . . . . 0.0 112.822 -174.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -50.4 -54.69 20.01 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 124.039 0.936 . . . . 0.0 110.245 169.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -61.98 -44.53 96.54 Favored 'General case' 0 N--CA 1.435 -1.207 0 C-N-CA 125.235 1.414 . . . . 0.0 112.808 -179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.542 ' O ' HG22 ' A' ' 59' ' ' THR . 1.6 mptm? -52.6 -52.19 56.38 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 120.78 1.627 . . . . 0.0 111.766 171.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.46 HD12 HG23 ' A' ' 39' ' ' ILE . 2.9 mm? -81.28 -22.43 38.64 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 119.914 -1.741 . . . . 0.0 114.047 -173.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.546 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.8 p -83.18 -27.51 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 CA-C-N 119.22 0.918 . . . . 0.0 111.877 169.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.542 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.1 t -72.01 -30.35 65.13 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 120.405 -1.434 . . . . 0.0 112.194 173.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -45.91 -56.94 4.8 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 122.951 0.501 . . . . 0.0 110.611 171.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -36.04 71.96 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 119.015 -0.517 . . . . 0.0 111.997 177.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.63 -24.39 21.3 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 118.965 -0.54 . . . . 0.0 112.44 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.69 -40.44 5.3 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 171.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -64.96 -52.57 55.53 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -70.05 -34.82 73.71 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 111.752 -174.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -89.46 -62.99 1.35 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.207 1.803 . . . . 0.0 115.76 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -103.84 -39.56 6.58 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 115.837 1.791 . . . . 0.0 115.837 -158.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 . . . . . 0 C--O 1.252 1.236 0 C-N-CA 126.502 1.921 . . . . 0.0 112.484 -177.706 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.548 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -62.14 158.3 17.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.951 1.301 . . . . 0.0 113.358 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -139.57 171.2 14.59 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.773 1.229 . . . . 0.0 113.132 -174.318 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 21.7 ptt? -73.01 166.46 23.04 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.588 1.155 . . . . 0.0 112.102 165.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.449 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 30.1 ttp180 -147.23 157.37 43.57 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.362 1.065 . . . . 0.0 112.52 178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 20.1 mmt -127.07 84.13 2.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.971 0.908 . . . . 0.0 110.472 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 35.1 m -34.12 -39.01 0.07 Allowed 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 -177.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -157.55 140.82 15.4 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 122.142 2.246 . . . . 0.0 113.706 141.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -103.13 -43.04 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.251 1.42 . . . . 0.0 112.294 179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.66 4.28 36.97 Favored Glycine 0 CA--C 1.545 1.966 0 C-N-CA 124.16 0.886 . . . . 0.0 114.751 -168.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -141.09 -64.2 0.45 Allowed 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 118.663 1.232 . . . . 0.0 111.272 169.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.94 33.19 14.05 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.47 1.508 . . . . 0.0 114.307 -179.27 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -62.45 168.97 3.21 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 125.447 1.499 . . . . 0.0 111.588 176.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.7 t -37.11 -43.06 0.47 Allowed 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 117.082 2.253 . . . . 0.0 117.082 -173.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -77.52 -31.95 53.78 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.274 -1.517 . . . . 0.0 114.008 175.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -93.17 6.99 46.09 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 127.609 2.364 . . . . 0.0 113.287 174.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.38 -10.09 52.71 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 125.724 1.61 . . . . 0.0 114.388 -175.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.446 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.7 pm0 -46.31 -27.98 1.18 Allowed 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 -175.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.449 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 0.3 OUTLIER -48.28 -69.1 0.13 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.564 1.945 . . . . 0.0 114.167 162.156 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.473 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -69.36 -36.19 76.6 Favored 'General case' 0 C--O 1.221 -0.441 0 C-N-CA 127.688 2.395 . . . . 0.0 109.809 -173.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.446 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.3 OUTLIER -50.24 -50.43 49.92 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.076 2.95 . . . . 0.0 111.372 167.184 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -73.85 -41.96 61.51 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 117.339 -1.744 . . . . 0.0 108.451 -176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -63.16 -23.08 67.27 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.322 1.849 . . . . 0.0 114.966 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.3 pt -92.13 -27.8 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 CA-C-N 119.216 0.916 . . . . 0.0 113.238 167.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -67.47 -38.12 83.94 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 123.799 0.84 . . . . 0.0 111.481 177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.3 pt -76.2 -178.01 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.748 1.219 . . . . 0.0 113.862 176.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -63.27 -32.94 74.48 Favored 'General case' 0 CA--C 1.546 0.803 0 N-CA-C 115.538 1.681 . . . . 0.0 115.538 -170.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -136.17 143.84 44.65 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 125.406 1.482 . . . . 0.0 113.419 -175.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 38.0 mp0 -69.96 80.79 0.48 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 126.664 1.986 . . . . 0.0 111.929 -177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -73.8 -27.38 61.1 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -158.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.01 -36.76 50.98 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 119.461 1.028 . . . . 0.0 113.131 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -58.49 -39.33 74.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 124.985 1.314 . . . . 0.0 112.2 178.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.1 tt0 -60.6 -41.5 94.87 Favored 'General case' 0 C--O 1.239 0.53 0 O-C-N 121.344 -0.848 . . . . 0.0 110.846 177.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.75 -36.88 85.34 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 117.08 -1.438 . . . . 0.0 111.836 171.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 6.1 tt -57.68 -56.19 25.15 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 120.643 1.565 . . . . 0.0 111.044 176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -63.62 -37.21 86.46 Favored 'General case' 0 C--O 1.245 0.829 0 CA-C-N 119.67 1.123 . . . . 0.0 112.027 -178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.2 t -62.66 -45.79 91.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 121.672 0.748 . . . . 0.0 110.442 175.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -68.75 -50.63 48.97 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.892 1.677 . . . . 0.0 111.657 -176.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -56.96 -41.8 77.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.245 0 O-C-N 121.473 -0.767 . . . . 0.0 111.308 177.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.16 -26.13 62.85 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 118.421 -1.312 . . . . 0.0 113.676 174.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -61.38 -31.49 71.39 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 119.372 0.987 . . . . 0.0 111.898 170.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.406 ' N ' HD12 ' B' ' 42' ' ' ILE . 2.9 mp -80.55 -54.02 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 O-C-N 120.629 -1.294 . . . . 0.0 110.631 169.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -63.89 -39.42 94.15 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.747 1.219 . . . . 0.0 113.495 -166.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 12.9 t -126.87 -30.56 2.73 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.636 1.174 . . . . 0.0 113.624 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.66 -19.44 74.85 Favored Glycine 0 CA--C 1.535 1.335 0 CA-C-N 119.418 1.008 . . . . 0.0 113.436 178.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.267 73.6 p 49.48 49.09 20.45 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 126.502 1.921 . . . . 0.0 113.376 -177.321 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -33.88 -61.16 0.36 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.962 2.505 . . . . 0.0 114.478 174.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 53.56 78.71 0.14 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 128.668 2.787 . . . . 0.0 113.318 168.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . 0.463 HG13 ' H ' ' B' ' 53' ' ' THR . 2.4 p -140.09 158.67 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 126.337 1.855 . . . . 0.0 110.513 176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -74.96 64.17 1.29 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 128.103 2.561 . . . . 0.0 115.299 -165.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . 86.39 -10.99 64.68 Favored Glycine 0 N--CA 1.47 0.922 0 C-N-CA 127.798 2.618 . . . . 0.0 115.038 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 21.5 m -59.6 -60.79 3.28 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.609 1.705 . . . . 0.0 109.963 178.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . 0.463 ' H ' HG13 ' B' ' 49' ' ' VAL . 4.7 t -66.64 -32.9 74.52 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -55.81 -54.27 46.57 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 124.666 1.186 . . . . 0.0 110.239 170.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.476 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.6 tptt -60.99 -42.08 97.72 Favored 'General case' 0 N--CA 1.436 -1.174 0 C-N-CA 125.375 1.47 . . . . 0.0 112.44 -179.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -58.43 -43.35 88.68 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-N 120.638 1.563 . . . . 0.0 112.125 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -69.68 -43.89 71.59 Favored 'General case' 0 N--CA 1.468 0.452 0 O-C-N 120.076 -1.64 . . . . 0.0 112.712 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.476 HG12 ' HA ' ' B' ' 55' ' ' LYS . 5.5 p -79.19 -26.51 13.04 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 122.771 0.429 . . . . 0.0 111.742 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 2.5 t -69.96 -37.76 75.91 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 120.729 -1.232 . . . . 0.0 111.758 172.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -47.84 -57.53 5.53 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 118.322 -0.846 . . . . 0.0 110.439 174.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -42.76 99.22 Favored 'General case' 0 N--CA 1.489 1.48 0 C-N-CA 123.247 0.619 . . . . 0.0 112.509 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -58.35 -24.55 60.14 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.607 1.163 . . . . 0.0 112.573 -175.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 4.2 mmt180 -115.97 -21.92 9.27 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 116.358 1.984 . . . . 0.0 116.358 166.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -58.8 -53.76 54.79 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-N 120.614 1.552 . . . . 0.0 111.99 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -81.07 -39.8 25.16 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 122.529 1.157 . . . . 0.0 112.777 -171.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -74.42 -60.85 2.09 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-N 112.499 -2.137 . . . . 0.0 115.529 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -108.8 -44.96 3.91 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 116.853 2.168 . . . . 0.0 116.853 -158.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 69.3 m-80 . . . . . 0 C--O 1.252 1.216 0 C-N-CA 126.945 2.098 . . . . 0.0 112.032 -174.239 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -73.34 -18.71 61.15 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -173.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 46.4 t60 -151.91 178.27 9.58 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 125.66 1.584 . . . . 0.0 111.136 178.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 75.7 mtm -72.38 155.14 40.46 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.764 0.825 . . . . 0.0 111.456 166.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.568 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 19.1 ttp180 -140.67 139.7 34.84 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.447 1.099 . . . . 0.0 111.118 173.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 11.4 mmt -126.48 71.75 1.3 Allowed 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.98 0.895 . . . . 0.0 108.827 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.427 ' HA ' ' HE2' ' A' ' 19' ' ' LYS . 27.9 m -54.93 114.68 1.83 Allowed 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.714 -1.13 . . . . 0.0 112.091 -172.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' O ' ' HE2' ' A' ' 56' ' ' LYS 0.294 4.1 mt 54.52 69.15 0.75 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 129.289 3.036 . . . . 0.0 114.722 175.102 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.2 mt -63.98 -29.25 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.424 1.489 . . . . 0.0 111.28 170.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.61 7.78 61.41 Favored Glycine 0 CA--C 1.545 1.933 0 C-N-CA 125.199 1.381 . . . . 0.0 114.206 -171.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -138.15 -64.22 0.54 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.572 1.549 . . . . 0.0 110.887 166.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.17 35.08 18.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.461 1.504 . . . . 0.0 114.158 179.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 21.1 m-30 -60.8 168.03 2.5 Favored 'General case' 0 C--O 1.215 -0.726 0 C-N-CA 125.681 1.592 . . . . 0.0 111.99 178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -38.68 -41.49 0.71 Allowed 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -172.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -78.31 -33.27 49.4 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.32 -1.487 . . . . 0.0 113.596 174.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -90.71 9.51 29.64 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.955 2.502 . . . . 0.0 113.04 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -73.23 -9.93 59.23 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.422 1.489 . . . . 0.0 114.631 -174.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pm0 -42.71 -31.29 0.45 Allowed 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 125.885 1.674 . . . . 0.0 114.11 -176.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 2.4 tptt -48.12 -70.53 0.09 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 126.458 1.903 . . . . 0.0 113.074 164.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.547 ' H ' HD22 ' A' ' 20' ' ' LEU . 2.0 mm? -69.1 -35.14 76.13 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 127.373 2.269 . . . . 0.0 109.782 -173.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.589 ' O ' HD12 ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.54 -52.57 63.27 Favored 'General case' 0 C--N 1.333 -0.136 0 C-N-CA 125.034 1.334 . . . . 0.0 108.524 169.085 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.2 tp -69.67 -41.72 75.12 Favored 'General case' 0 C--N 1.347 0.474 0 C-N-CA 116.483 -2.087 . . . . 0.0 106.244 -165.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -57.92 -36.64 72.76 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 127.274 2.23 . . . . 0.0 115.471 177.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.4 pt -80.32 -26.33 11.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 CA-C-N 120.718 1.599 . . . . 0.0 112.656 171.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 48.5 tp -75.32 -31.5 60.63 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 124.412 1.085 . . . . 0.0 112.498 -177.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.7 pt -80.84 -175.0 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 C-N-CA 125.258 1.423 . . . . 0.0 113.397 174.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 p30 -63.74 -26.45 68.65 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 115.826 1.787 . . . . 0.0 115.826 -173.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -142.58 139.01 31.2 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 125.022 1.329 . . . . 0.0 112.177 -177.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.16 73.76 0.94 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.706 2.003 . . . . 0.0 112.212 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -67.54 -24.71 65.57 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 116.486 2.032 . . . . 0.0 116.486 -159.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.71 -37.3 63.15 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.599 -1.313 . . . . 0.0 112.573 174.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.408 HG21 HG21 ' B' ' 32' ' ' ILE . 2.0 mp -69.82 -38.03 74.85 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 O-C-N 121.371 -0.831 . . . . 0.0 111.931 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.4 tp10 -55.22 -43.52 74.59 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.145 -0.972 . . . . 0.0 110.394 172.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.6 -54.95 40.53 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 116.295 -1.812 . . . . 0.0 110.558 170.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 tp -46.25 -52.95 11.56 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 120.611 1.55 . . . . 0.0 111.67 -176.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.8 t -68.95 -44.22 73.42 Favored 'General case' 0 C--O 1.246 0.889 0 CA-C-O 121.715 0.769 . . . . 0.0 112.442 -175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 18.1 t -58.27 -41.76 85.03 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 122.483 1.135 . . . . 0.0 111.146 174.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' HB3' HD11 ' A' ' 57' ' ' LEU . 15.7 mm-40 -75.15 -51.86 12.38 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 126.658 1.983 . . . . 0.0 110.186 -170.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.488 HG23 HD12 ' A' ' 57' ' ' LEU . 2.0 pp -57.87 -42.34 82.04 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 O-C-N 121.324 -0.86 . . . . 0.0 111.395 176.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -71.45 -27.06 63.0 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 118.479 -1.288 . . . . 0.0 112.973 176.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -68.45 -25.63 65.09 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-N 119.728 1.149 . . . . 0.0 111.726 173.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -81.89 -48.71 18.32 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 O-C-N 120.658 -1.276 . . . . 0.0 110.026 172.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.54 -45.63 65.13 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -170.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -116.08 -31.68 5.62 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.402 1.081 . . . . 0.0 112.986 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.68 -16.34 71.94 Favored Glycine 0 CA--C 1.538 1.516 0 O-C-N 120.967 -1.083 . . . . 0.0 113.452 172.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 m 59.37 37.09 23.44 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 126.522 1.929 . . . . 0.0 113.929 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -66.88 138.22 57.15 Favored 'General case' 0 N--CA 1.47 0.534 0 O-C-N 121.097 -1.002 . . . . 0.0 110.191 161.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -164.16 130.55 3.08 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.76 1.224 . . . . 0.0 109.95 172.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.6 m -136.71 -157.96 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 125.551 1.54 . . . . 0.0 109.853 174.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -49.91 178.72 0.01 OUTLIER 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 125.044 1.338 . . . . 0.0 114.213 156.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -55.31 -6.55 0.99 Allowed Glycine 0 N--CA 1.474 1.2 0 O-C-N 120.17 -1.581 . . . . 0.0 116.888 176.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 73.5 m -48.35 -61.69 1.87 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 120.52 2.16 . . . . 0.0 111.597 171.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 t -66.72 -39.47 88.01 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 119.47 1.032 . . . . 0.0 112.738 -175.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -51.4 -55.12 20.34 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 124.657 1.183 . . . . 0.0 110.802 170.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.497 ' HA ' HG12 ' A' ' 58' ' ' VAL . 22.6 tptt -61.66 -44.08 97.65 Favored 'General case' 0 N--CA 1.436 -1.155 0 C-N-CA 125.435 1.494 . . . . 0.0 112.386 -178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' HG22 ' A' ' 59' ' ' THR . 0.5 OUTLIER -51.21 -52.29 45.86 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 120.781 1.628 . . . . 0.0 112.374 169.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.488 HD12 HG23 ' A' ' 39' ' ' ILE . 3.2 mm? -80.33 -26.39 38.79 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 119.79 -1.819 . . . . 0.0 113.989 -173.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.1 p -80.01 -26.98 12.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 CA-C-N 118.938 0.79 . . . . 0.0 111.915 171.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.7 t -72.83 -32.62 65.61 Favored 'General case' 0 N--CA 1.479 1.017 0 O-C-N 120.301 -1.5 . . . . 0.0 112.604 173.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -45.78 -58.7 3.28 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.529 0.732 . . . . 0.0 109.095 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -38.47 81.5 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 118.965 -0.541 . . . . 0.0 112.009 176.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -56.51 -18.78 12.67 Favored 'General case' 0 CA--C 1.542 0.644 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.6 mmt-85 -120.88 -21.67 6.5 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 117.549 2.425 . . . . 0.0 117.549 160.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -68.25 -50.75 51.81 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 121.686 2.039 . . . . 0.0 112.879 175.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.5 mmm180 -67.23 -32.79 74.07 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.907 1.283 . . . . 0.0 112.103 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.2 m-85 -90.62 -60.16 1.99 Allowed 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 126.539 1.936 . . . . 0.0 115.905 -176.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -113.74 -41.49 3.58 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.09 1.885 . . . . 0.0 116.09 -159.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 63.3 m-80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 127.142 2.177 . . . . 0.0 112.114 -176.294 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 29.7 m -69.35 159.55 32.96 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.698 1.199 . . . . 0.0 113.451 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 31.8 t-80 -141.81 161.78 37.12 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.513 1.525 . . . . 0.0 111.482 176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 14.6 tpt -68.64 146.87 52.64 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.064 0.945 . . . . 0.0 111.641 170.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -126.55 151.88 47.31 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.734 2.014 . . . . 0.0 110.824 176.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 22.2 mmt -121.32 10.1 10.51 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 116.27 1.952 . . . . 0.0 116.27 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.509 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 55.4 m 50.23 -90.4 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 127.012 2.125 . . . . 0.0 115.095 -177.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mt -130.31 94.24 3.63 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 121.032 1.742 . . . . 0.0 110.283 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 2.1 mt -76.66 -41.76 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 C-N-CA 123.729 0.812 . . . . 0.0 110.124 174.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 110.51 -0.15 29.31 Favored Glycine 0 CA--C 1.541 1.692 0 C-N-CA 125.478 1.513 . . . . 0.0 113.973 -173.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -133.0 -75.8 0.49 Allowed 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.172 1.389 . . . . 0.0 109.58 171.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.01 37.33 26.61 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 116.351 1.982 . . . . 0.0 116.351 178.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -82.22 166.33 19.68 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.011 -1.056 . . . . 0.0 112.709 168.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 13.5 t -18.32 -53.92 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 119.576 3.176 . . . . 0.0 119.576 -161.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -76.24 -26.91 56.5 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 120.926 1.694 . . . . 0.0 113.555 178.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -103.23 -5.11 23.46 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.957 2.903 . . . . 0.0 112.394 175.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -59.88 -10.93 4.5 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 116.28 1.956 . . . . 0.0 116.28 173.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -44.15 -30.57 0.79 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 120.906 1.684 . . . . 0.0 114.415 -177.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.509 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 2.5 tptp -48.59 -67.38 0.27 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 126.011 1.724 . . . . 0.0 112.746 164.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.485 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -70.01 -36.79 75.38 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 127.345 2.258 . . . . 0.0 109.78 -173.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.79 -50.59 68.13 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.036 1.334 . . . . 0.0 108.288 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.408 HD13 ' C ' ' B' ' 22' ' ' LEU . 1.5 tm? -69.97 -44.79 68.76 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 106.312 -1.736 . . . . 0.0 106.312 -165.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -56.54 -37.96 71.22 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 128.246 2.619 . . . . 0.0 115.581 177.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 15.6 pt -77.83 -27.64 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.591 1.087 . . . . 0.0 112.416 172.227 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 35.2 tp -78.31 -30.01 48.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 124.198 0.999 . . . . 0.0 112.905 -175.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 28.2 pt -79.3 -173.7 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 125.39 1.476 . . . . 0.0 113.571 175.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -61.84 -28.52 69.55 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.846 1.795 . . . . 0.0 115.846 -172.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -145.79 144.93 30.59 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.993 0.917 . . . . 0.0 113.014 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -71.28 82.44 0.75 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.5 1.92 . . . . 0.0 111.867 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.74 ' CE2' HD11 ' B' ' 34' ' ' LEU . 31.3 t80 -72.15 -42.1 66.35 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 115.291 1.589 . . . . 0.0 115.291 -158.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.634 ' HA ' HD13 ' B' ' 34' ' ' LEU . . . -40.96 -39.79 1.25 Allowed 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.339 1.856 . . . . 0.0 116.003 -173.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.408 HG21 HG21 ' A' ' 32' ' ' ILE . 1.9 mp -66.5 -35.73 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 O-C-N 121.151 -0.968 . . . . 0.0 111.523 -178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -57.88 -41.35 82.34 Favored 'General case' 0 C--O 1.242 0.662 0 O-C-N 121.262 -0.899 . . . . 0.0 110.77 174.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.74 HD11 ' CE2' ' B' ' 30' ' ' TYR . 4.4 mp -64.21 -43.13 95.95 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.394 -1.289 . . . . 0.0 111.407 171.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.75 -56.83 13.98 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.379 1.445 . . . . 0.0 110.638 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -64.4 -37.74 88.58 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 118.555 0.616 . . . . 0.0 111.846 -177.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 8.8 t -60.9 -45.74 93.42 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-O 122.368 1.08 . . . . 0.0 111.116 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -66.38 -54.56 23.01 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.702 2.001 . . . . 0.0 111.008 -175.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.27 -42.21 79.71 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.071 0 CA-C-O 118.819 -0.61 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -73.58 -25.43 60.35 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -65.61 -30.27 70.96 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 119.379 0.99 . . . . 0.0 110.534 172.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.29 -44.85 18.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 O-C-N 121.297 -0.877 . . . . 0.0 110.879 175.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -65.55 -50.71 64.18 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.734 1.213 . . . . 0.0 113.614 -174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 13.2 t -124.04 -28.0 3.81 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.54 1.136 . . . . 0.0 113.523 -174.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.64 -12.36 59.03 Favored Glycine 0 CA--C 1.541 1.703 0 O-C-N 121.329 -0.857 . . . . 0.0 114.06 166.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.285 46.5 p 51.53 45.05 28.64 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 127.231 2.212 . . . . 0.0 114.354 173.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.88 155.78 5.79 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.425 1.09 . . . . 0.0 113.635 169.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 34.4 m120 -140.79 110.09 6.24 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.329 1.052 . . . . 0.0 110.762 -176.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 8.0 p -161.67 164.73 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 126.107 1.763 . . . . 0.0 110.398 173.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -64.76 -168.7 0.03 OUTLIER 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 126.51 1.924 . . . . 0.0 112.227 167.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -50.94 -7.24 0.16 Allowed Glycine 0 N--CA 1.474 1.185 0 C-N-CA 126.791 2.139 . . . . 0.0 118.177 -176.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 89.2 m -47.06 -65.41 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 119.633 1.717 . . . . 0.0 111.524 169.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 9.4 t -69.33 -35.83 76.31 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 121.155 -0.965 . . . . 0.0 113.109 -174.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -49.98 -55.14 15.81 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 124.3 1.04 . . . . 0.0 109.92 170.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.49 ' HA ' HG12 ' B' ' 58' ' ' VAL . 19.9 tptt -62.81 -46.73 86.6 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-O 117.178 -1.392 . . . . 0.0 112.564 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.552 ' O ' HG22 ' B' ' 59' ' ' THR . 12.9 mptt -52.53 -49.89 63.93 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 120.764 1.62 . . . . 0.0 111.932 173.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.34 -24.05 32.25 Favored 'General case' 0 CA--C 1.538 0.483 0 O-C-N 119.967 -1.708 . . . . 0.0 114.798 -174.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' B' ' 55' ' ' LYS . 2.6 p -81.67 -26.52 9.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 O-C-N 121.457 -0.777 . . . . 0.0 111.671 170.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.552 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.1 t -70.1 -36.34 74.79 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 120.699 -1.25 . . . . 0.0 111.019 171.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -45.68 -57.8 3.95 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.852 172.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -44.0 97.39 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.114 0.965 . . . . 0.0 112.708 178.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -60.74 -19.79 59.81 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.952 1.301 . . . . 0.0 112.701 -174.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.95 -32.19 4.85 Favored 'General case' 0 N--CA 1.483 1.188 0 N-CA-C 116.485 2.032 . . . . 0.0 116.485 168.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -52.77 -56.49 15.28 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.697 1.135 . . . . 0.0 112.125 173.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -83.3 -40.89 18.92 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-O 122.79 1.281 . . . . 0.0 113.12 -166.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -68.45 -55.32 12.24 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 112.242 -2.254 . . . . 0.0 114.969 175.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.16 -47.64 3.18 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 115.595 1.702 . . . . 0.0 115.595 -160.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 72.7 m-80 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.818 2.047 . . . . 0.0 112.712 -172.577 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.607 0 N-CA-C 111.346 -0.702 . . . . 0.0 111.346 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -146.92 160.87 41.8 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 125.24 1.416 . . . . 0.0 112.384 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.8 t-80 -156.35 163.07 39.93 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.518 1.527 . . . . 0.0 111.586 -176.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.2 tpt -66.87 145.95 54.93 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 124.303 1.041 . . . . 0.0 111.601 168.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.489 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 17.9 ttp180 -128.87 151.72 49.31 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 126.27 1.828 . . . . 0.0 111.283 -179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 22.9 mmt -120.82 8.89 10.58 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 116.016 1.858 . . . . 0.0 116.016 -179.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.539 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.275 70.4 m 49.13 -83.94 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 127.525 2.33 . . . . 0.0 115.963 -176.586 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -138.61 91.18 2.52 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 122.058 2.208 . . . . 0.0 113.325 178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -72.36 -30.04 33.64 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 126.091 1.756 . . . . 0.0 111.11 174.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.26 0.59 73.45 Favored Glycine 0 CA--C 1.54 1.6 0 N-CA-C 115.301 0.88 . . . . 0.0 115.301 -172.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -134.44 -58.54 0.83 Allowed 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 119.04 1.42 . . . . 0.0 110.438 170.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.87 42.04 27.05 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.551 1.54 . . . . 0.0 113.955 176.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -91.85 98.38 11.56 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 125.466 1.507 . . . . 0.0 113.489 -159.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.307 3.7 t 52.68 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 128.565 2.746 . . . . 0.0 115.204 173.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -65.68 -27.87 68.67 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.54 -1.35 . . . . 0.0 112.746 165.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -100.8 8.35 43.26 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.358 1.063 . . . . 0.0 112.079 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -67.49 -10.35 50.82 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.738 1.215 . . . . 0.0 114.143 178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 21' ' ' LEU . 2.6 pm0 -44.55 -28.52 0.59 Allowed 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 -173.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.539 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 2.8 tptp -50.87 -67.36 0.26 Allowed 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.459 1.503 . . . . 0.0 113.217 165.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -69.06 -36.84 78.12 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 127.879 2.472 . . . . 0.0 109.584 -173.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.481 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.2 OUTLIER -52.37 -46.49 66.21 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 129.274 3.029 . . . . 0.0 111.567 166.856 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.8 -42.97 63.32 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 122.606 1.194 . . . . 0.0 108.524 -177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -64.32 -15.36 60.14 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 127.048 2.139 . . . . 0.0 115.701 179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 pt -99.65 -26.62 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 CA-C-N 119.402 1.001 . . . . 0.0 113.52 164.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.2 tp -71.41 -31.61 67.45 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.978 1.311 . . . . 0.0 112.767 -179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 16.4 pt -75.5 -179.47 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 124.545 1.138 . . . . 0.0 113.352 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -66.73 -26.41 66.98 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 115.471 1.656 . . . . 0.0 115.471 -170.346 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 25.1 p80 -130.61 156.36 45.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.219 1.408 . . . . 0.0 112.802 174.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -69.39 150.17 47.58 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.549 -0.72 . . . . 0.0 111.748 174.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -143.72 -138.84 0.11 Allowed 'General case' 0 CA--C 1.552 1.024 0 CA-C-O 118.121 -0.943 . . . . 0.0 112.659 179.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 51.11 -40.73 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 129.225 3.01 . . . . 0.0 117.176 -154.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mm -71.85 -28.39 30.32 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.436 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -170.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -58.33 -39.72 80.2 Favored 'General case' 0 N--CA 1.471 0.625 0 O-C-N 121.435 -0.791 . . . . 0.0 109.903 170.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.5 mt -64.95 -47.77 76.46 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.799 173.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.36 -55.13 23.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.586 1.155 . . . . 0.0 111.522 178.484 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.0 t -65.33 -41.16 94.23 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-O 121.785 0.802 . . . . 0.0 112.358 -176.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.8 t -61.68 -43.74 98.28 Favored 'General case' 0 CA--C 1.546 0.818 0 CA-C-O 121.38 0.61 . . . . 0.0 110.602 175.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -64.84 -55.94 16.47 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 126.021 1.728 . . . . 0.0 110.87 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.0 pp -58.41 -43.46 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.063 -177.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -72.53 -27.77 62.44 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.496 0.924 . . . . 0.0 113.496 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.87 -24.75 64.38 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.527 1.058 . . . . 0.0 110.744 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.8 mp -83.44 -47.9 17.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 O-C-N 121.049 -1.032 . . . . 0.0 110.479 170.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.19 -47.0 81.48 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -172.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.4 t -122.17 -31.97 3.76 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.858 1.263 . . . . 0.0 113.296 -177.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -67.62 -17.18 68.67 Favored Glycine 0 CA--C 1.539 1.554 0 O-C-N 121.004 -1.06 . . . . 0.0 113.802 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m 57.15 43.32 24.23 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.657 1.983 . . . . 0.0 114.002 176.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -60.75 150.13 33.43 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.349 -0.844 . . . . 0.0 110.81 160.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -146.39 127.4 14.58 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.417 1.087 . . . . 0.0 110.995 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 p -162.5 168.44 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 126.752 2.021 . . . . 0.0 109.622 -178.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 39.8 t0 -63.53 -168.7 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.993 1.717 . . . . 0.0 111.791 165.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.62 -6.5 0.2 Allowed Glycine 0 N--CA 1.472 1.043 0 N-CA-C 118.32 2.088 . . . . 0.0 118.32 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.7 m -48.06 -63.95 0.93 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 120.034 1.917 . . . . 0.0 111.776 171.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.5 t -69.26 -35.6 76.25 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 120.887 -1.133 . . . . 0.0 113.404 -175.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -50.75 -55.89 14.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 124.156 0.982 . . . . 0.0 109.841 169.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.526 ' HA ' HG12 ' A' ' 58' ' ' VAL . 25.7 tptt -61.53 -45.93 92.1 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 125.043 1.337 . . . . 0.0 112.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.55 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -53.84 -51.52 63.32 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 120.263 1.392 . . . . 0.0 111.333 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.91 -27.53 39.93 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 119.725 -1.859 . . . . 0.0 114.135 -173.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.526 HG12 ' HA ' ' A' ' 55' ' ' LYS . 2.8 p -76.18 -28.34 18.47 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 O-C-N 121.548 -0.72 . . . . 0.0 111.686 172.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.6 t -72.31 -33.94 67.75 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 120.538 -1.351 . . . . 0.0 112.33 174.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -50.5 -55.35 16.4 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.179 0.592 . . . . 0.0 110.108 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.66 -36.19 75.84 Favored 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 175.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.31 -21.67 15.77 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-O 118.612 -0.709 . . . . 0.0 112.518 177.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.439 HH11 ' HG3' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -110.19 -39.94 4.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 168.067 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -62.73 -47.02 85.38 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -178.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -76.41 -35.52 58.53 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.923 1.289 . . . . 0.0 112.635 -176.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -89.7 -57.6 2.81 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 115.831 1.789 . . . . 0.0 115.831 -177.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -103.57 -46.01 4.67 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -160.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 11.4 m120 . . . . . 0 C--O 1.254 1.291 0 C-N-CA 124.927 1.291 . . . . 0.0 113.326 -170.463 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.624 0 N-CA-C 112.103 -0.399 . . . . 0.0 112.103 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -148.94 154.9 40.07 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 125.103 1.361 . . . . 0.0 112.498 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -123.19 40.39 3.73 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.585 1.554 . . . . 0.0 111.968 -176.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 50.1 tpp -62.0 122.38 15.34 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 120.835 -1.166 . . . . 0.0 111.155 -178.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.497 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 29.1 ttp-105 -81.89 150.19 27.88 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.156 1.382 . . . . 0.0 112.72 -172.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 13.7 mmt -126.81 78.32 1.79 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.344 0.592 . . . . 0.0 110.6 172.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.465 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 57.9 m -51.41 113.76 1.05 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.742 0.782 . . . . 0.0 112.112 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . 0.269 2.0 mt 49.91 72.29 0.33 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 129.841 3.257 . . . . 0.0 115.456 174.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 mt -65.69 -32.24 57.3 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 C-N-CA 124.799 1.24 . . . . 0.0 111.261 168.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.6 6.41 57.37 Favored Glycine 0 CA--C 1.543 1.815 0 C-N-CA 124.923 1.249 . . . . 0.0 114.159 -173.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -138.49 -63.36 0.55 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.572 1.549 . . . . 0.0 110.462 169.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.0 39.5 7.8 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 126.351 1.86 . . . . 0.0 113.887 -177.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 m-30 -61.81 169.09 2.68 Favored 'General case' 0 C--O 1.215 -0.755 0 C-N-CA 125.541 1.536 . . . . 0.0 111.7 177.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 8.0 t -36.88 -44.86 0.52 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 117.077 2.251 . . . . 0.0 117.077 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -76.55 -34.05 58.51 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 120.287 -1.508 . . . . 0.0 113.41 175.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -91.47 10.37 28.0 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.609 2.364 . . . . 0.0 112.481 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -71.14 -8.63 54.77 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.78 1.632 . . . . 0.0 113.75 -177.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.464 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -45.37 -29.03 0.96 Allowed 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.977 1.262 . . . . 0.0 114.027 -176.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.497 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 6.7 tptp -48.34 -69.9 0.11 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.034 1.733 . . . . 0.0 113.341 163.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.1 mm? -68.99 -35.22 76.46 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 127.388 2.275 . . . . 0.0 110.108 -173.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.464 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -54.0 -46.76 71.86 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 129.335 3.054 . . . . 0.0 111.143 168.416 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.84 -45.05 60.49 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 118.349 -1.34 . . . . 0.0 107.823 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 77.0 m-20 -59.86 -31.09 69.44 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 126.333 1.853 . . . . 0.0 114.658 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 7.7 pt -86.19 -28.91 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 171.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.68 -37.15 79.36 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.056 0.942 . . . . 0.0 111.692 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 18.7 pt -78.15 -177.79 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.633 1.173 . . . . 0.0 114.028 178.08 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -64.22 -26.45 68.51 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -171.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -141.54 140.71 33.5 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.942 1.297 . . . . 0.0 112.161 -177.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -72.44 74.03 1.02 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 126.374 1.87 . . . . 0.0 112.151 -174.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.478 ' CZ ' HD21 ' B' ' 34' ' ' LEU . 21.3 t80 -63.34 -36.47 83.8 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 115.677 1.732 . . . . 0.0 115.677 -160.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.65 -44.12 8.78 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.16 1.384 . . . . 0.0 113.824 172.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.01 -39.71 86.62 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 C-N-CA 123.54 0.736 . . . . 0.0 111.672 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -57.12 -40.45 77.1 Favored 'General case' 0 C--O 1.24 0.595 0 O-C-N 121.523 -0.735 . . . . 0.0 110.614 171.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.478 HD21 ' CZ ' ' B' ' 30' ' ' TYR . 7.5 mt -62.32 -46.65 87.76 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-O 117.37 -1.3 . . . . 0.0 110.383 173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 35.1 tp -53.03 -54.95 27.75 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 120.195 1.361 . . . . 0.0 111.694 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 16.6 t -68.29 -38.81 82.03 Favored 'General case' 0 C--O 1.248 0.974 0 CA-C-O 121.968 0.89 . . . . 0.0 111.495 -175.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.25 -42.33 98.44 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 121.859 0.837 . . . . 0.0 110.964 175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.88 -55.29 13.44 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.922 2.089 . . . . 0.0 110.695 -177.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -57.92 -40.83 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 O-C-N 121.894 -0.504 . . . . 0.0 111.438 -178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -72.05 -26.71 62.3 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 118.805 -1.158 . . . . 0.0 113.568 174.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -62.63 -33.58 75.32 Favored 'General case' 0 CA--C 1.545 0.764 0 CA-C-N 119.568 1.076 . . . . 0.0 111.507 171.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -76.32 -49.89 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 O-C-N 120.383 -1.448 . . . . 0.0 110.279 172.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -67.25 -43.5 81.73 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -126.62 -25.54 3.39 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.6 1.16 . . . . 0.0 113.586 -176.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.15 -19.77 74.29 Favored Glycine 0 CA--C 1.539 1.566 0 CA-C-N 119.598 1.09 . . . . 0.0 112.99 169.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m 58.03 45.82 17.33 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.469 1.908 . . . . 0.0 113.123 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 10.6 mmmm -58.98 143.95 46.61 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.297 1.039 . . . . 0.0 110.598 167.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -147.06 118.98 8.13 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.528 1.131 . . . . 0.0 111.417 -175.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.7 p -165.4 172.24 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 127.442 2.297 . . . . 0.0 108.823 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.02 -169.8 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 126.245 1.818 . . . . 0.0 113.196 161.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.59 -6.41 0.47 Allowed Glycine 0 N--CA 1.473 1.152 0 N-CA-C 117.56 1.784 . . . . 0.0 117.56 -178.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 88.5 m -47.71 -64.02 0.9 Allowed 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 120.298 2.049 . . . . 0.0 111.704 170.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 5.8 t -65.99 -37.1 85.08 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 120.742 -1.224 . . . . 0.0 113.197 -174.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -52.26 -56.32 15.54 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 125.001 1.32 . . . . 0.0 110.253 170.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.475 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.7 tptt -61.83 -44.85 96.02 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 125.506 1.522 . . . . 0.0 112.736 -177.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.431 ' O ' HG22 ' B' ' 59' ' ' THR . 1.3 mptm? -54.17 -46.66 72.38 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 120.926 1.694 . . . . 0.0 112.313 172.13 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . 0.265 1.2 pp -83.42 -24.6 31.84 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 120.067 -1.645 . . . . 0.0 114.94 -175.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.475 HG12 ' HA ' ' B' ' 55' ' ' LYS . 3.6 p -84.03 -27.23 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 O-C-N 121.501 -0.75 . . . . 0.0 112.1 171.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.431 HG22 ' O ' ' B' ' 56' ' ' LYS . 2.2 t -68.3 -36.27 79.07 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 120.546 -1.346 . . . . 0.0 110.813 171.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -60.72 1.9 Allowed 'General case' 0 N--CA 1.475 0.825 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.451 172.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -42.56 99.02 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 124.299 1.039 . . . . 0.0 112.004 179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -61.16 -22.14 64.44 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.998 1.319 . . . . 0.0 113.316 -174.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -111.19 -31.16 7.18 Favored 'General case' 0 N--CA 1.485 1.308 0 N-CA-C 115.721 1.749 . . . . 0.0 115.721 160.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -55.01 -51.33 66.6 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 120.883 1.674 . . . . 0.0 112.281 -176.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -86.39 -39.67 16.16 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-O 122.787 1.28 . . . . 0.0 113.204 -170.257 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -69.48 -56.14 8.24 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 112.172 -2.285 . . . . 0.0 115.391 175.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -114.03 -48.61 2.89 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 116.716 2.117 . . . . 0.0 116.716 -157.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . 0.257 9.5 p30 . . . . . 0 C--O 1.251 1.161 0 C-N-CA 125.462 1.505 . . . . 0.0 114.027 -175.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.468 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -80.35 155.07 27.37 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.636 1.175 . . . . 0.0 112.824 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.2 m80 -123.23 144.81 49.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.389 1.476 . . . . 0.0 110.288 176.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.3 mmt -122.31 163.26 20.02 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.997 1.719 . . . . 0.0 109.662 175.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.55 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 32.8 ttp180 -136.35 144.43 44.61 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.317 1.047 . . . . 0.0 111.671 -177.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 18.4 mmt -125.89 68.1 1.18 Allowed 'General case' 0 N--CA 1.463 0.218 0 O-C-N 123.756 0.66 . . . . 0.0 110.196 174.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.9 m -74.96 104.11 5.42 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 118.501 -0.762 . . . . 0.0 109.386 176.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.0 mt -131.45 143.56 50.52 Favored 'General case' 0 CA--C 1.534 0.345 1 C-N-CA 135.378 5.471 . . . . 0.0 106.631 -3.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -91.76 -32.38 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 O-C-N 121.857 -0.527 . . . . 0.0 111.907 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.08 10.89 57.0 Favored Glycine 0 CA--C 1.546 1.986 0 C-N-CA 124.539 1.066 . . . . 0.0 114.131 -169.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -141.81 -70.38 0.35 Allowed 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.866 1.666 . . . . 0.0 111.108 171.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 54.16 55.87 7.7 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.54 2.336 . . . . 0.0 115.253 173.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' HB3' ' HE ' ' A' ' 63' ' ' ARG . 21.1 p90 -128.77 159.61 35.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 178.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.537 HG23 ' H ' ' A' ' 15' ' ' GLU 0.312 8.9 t 21.96 -85.18 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 128.742 2.817 . . . . 0.0 117.185 -157.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.537 ' H ' HG23 ' A' ' 14' ' ' THR . 45.3 mt-10 -68.7 -17.78 64.13 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 125.247 1.419 . . . . 0.0 113.095 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -112.17 1.21 16.12 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 127.353 2.261 . . . . 0.0 112.031 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -64.85 -15.45 61.87 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -43.91 -28.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 125.662 1.585 . . . . 0.0 114.408 -176.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.55 ' HA ' ' HG3' ' A' ' 5' ' ' ARG . 4.5 tptt -47.7 -71.8 0.06 Allowed 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.417 1.487 . . . . 0.0 111.933 164.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.656 HD22 ' H ' ' A' ' 20' ' ' LEU . 1.6 mm? -69.29 -36.0 76.6 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 125.859 1.663 . . . . 0.0 110.42 -174.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -51.05 68.54 Favored 'General case' 0 C--O 1.232 0.176 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 171.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tt -70.52 -43.36 69.79 Favored 'General case' 0 C--N 1.349 0.571 0 C-N-CA 116.262 -2.175 . . . . 0.0 105.743 -165.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -54.65 -44.2 73.04 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.332 2.253 . . . . 0.0 115.597 176.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 14.5 pt -76.2 -25.78 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.064 0 CA-C-N 120.934 1.697 . . . . 0.0 112.079 176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.8 tp -79.69 -30.32 41.03 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.685 0.794 . . . . 0.0 112.744 -176.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 25.6 pt -77.34 -174.31 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 C-N-CA 124.823 1.249 . . . . 0.0 112.856 171.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -61.34 -30.73 70.69 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.628 1.714 . . . . 0.0 115.628 -171.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -143.13 145.23 32.64 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.754 1.222 . . . . 0.0 112.443 176.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -71.05 67.84 0.44 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.616 2.366 . . . . 0.0 113.289 -177.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -57.39 -25.49 59.62 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.139 2.176 . . . . 0.0 116.765 -163.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.74 -40.43 54.59 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 120.106 1.321 . . . . 0.0 112.722 176.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 HG21 HG21 ' B' ' 32' ' ' ILE . 3.6 mm -67.9 -30.54 48.64 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -58.77 -43.9 90.51 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 121.462 -0.774 . . . . 0.0 110.797 171.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -63.21 -39.67 95.3 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-O 117.055 -1.45 . . . . 0.0 111.832 172.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -57.53 -52.54 64.99 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 120.696 1.589 . . . . 0.0 111.043 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.6 t -67.31 -37.1 82.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-O 122.074 0.94 . . . . 0.0 112.216 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.6 t -62.91 -44.47 96.01 Favored 'General case' 0 CA--C 1.55 0.975 0 CA-C-O 121.713 0.768 . . . . 0.0 110.811 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -66.49 -52.05 50.2 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 126.592 1.957 . . . . 0.0 110.725 -177.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.464 HG21 HG21 ' B' ' 39' ' ' ILE . 2.2 pp -59.85 -40.69 83.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 O-C-N 121.85 -0.532 . . . . 0.0 111.437 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -71.69 -25.45 62.11 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 118.896 -1.122 . . . . 0.0 113.364 173.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -61.8 -32.1 72.37 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.738 1.154 . . . . 0.0 112.146 169.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' N ' HD12 ' A' ' 42' ' ' ILE . 2.6 mp -77.32 -53.42 14.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 O-C-N 121.221 -0.925 . . . . 0.0 110.616 170.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -67.14 -41.22 86.48 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 -166.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.2 t -126.21 -28.91 3.07 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.605 1.162 . . . . 0.0 113.54 -178.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -68.94 -15.7 69.62 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-N 119.417 1.008 . . . . 0.0 113.592 176.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.3 p 50.07 55.3 9.65 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.274 1.829 . . . . 0.0 112.189 -177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -32.44 -56.87 0.34 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 128.196 2.598 . . . . 0.0 116.246 -174.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 52.22 68.15 0.86 Allowed 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 127.185 2.194 . . . . 0.0 112.928 -177.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.49 162.72 23.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 126.649 1.98 . . . . 0.0 109.818 170.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -64.3 -172.66 0.07 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 125.85 1.66 . . . . 0.0 112.093 170.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -51.01 -6.39 0.13 Allowed Glycine 0 N--CA 1.473 1.105 0 N-CA-C 118.596 2.199 . . . . 0.0 118.596 -175.022 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.6 m -45.4 -67.47 0.28 Allowed 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.703 1.752 . . . . 0.0 111.872 168.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.8 t -70.72 -32.12 69.22 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 121.319 -0.863 . . . . 0.0 112.548 -173.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -53.95 -55.41 27.36 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.417 1.087 . . . . 0.0 110.507 169.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HA ' HG12 ' A' ' 58' ' ' VAL . 21.2 tptt -62.89 -44.49 95.97 Favored 'General case' 0 N--CA 1.436 -1.137 0 C-N-CA 125.207 1.403 . . . . 0.0 111.96 -179.24 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' O ' HG22 ' A' ' 59' ' ' THR . 12.8 mptt -53.12 -48.38 67.91 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 119.91 1.232 . . . . 0.0 111.399 170.401 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.0 tt -70.3 -40.19 74.41 Favored 'General case' 0 N--CA 1.468 0.433 0 O-C-N 119.801 -1.812 . . . . 0.0 112.976 -176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.444 HG12 ' HA ' ' A' ' 55' ' ' LYS . 5.6 p -80.46 -26.84 11.52 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 C-N-CA 122.891 0.477 . . . . 0.0 111.964 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 56' ' ' LYS . 1.9 t -70.99 -33.24 70.23 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 120.693 -1.254 . . . . 0.0 112.117 172.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 56' ' ' LYS . 1.4 mm? -50.4 -55.22 16.69 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.583 0.753 . . . . 0.0 109.98 176.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -39.1 84.71 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 119.257 -0.402 . . . . 0.0 112.041 174.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -56.38 -19.96 17.15 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-O 118.571 -0.728 . . . . 0.0 112.491 -179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.425 ' HE ' ' HB3' ' A' ' 13' ' ' PHE . 71.5 mmt-85 -119.41 -23.34 6.7 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 165.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -68.85 -49.42 58.56 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 121.81 2.095 . . . . 0.0 112.85 174.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -69.82 -33.86 72.89 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 125.041 1.336 . . . . 0.0 112.171 -177.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -93.55 -62.15 1.42 Allowed 'General case' 0 CA--C 1.548 0.877 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 -178.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -107.16 -41.66 5.08 Favored 'General case' 0 N--CA 1.48 1.053 0 N-CA-C 116.623 2.083 . . . . 0.0 116.623 -156.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 . . . . . 0 C--O 1.253 1.278 0 C-N-CA 127.367 2.267 . . . . 0.0 111.968 -176.266 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 111.996 -0.442 . . . . 0.0 111.996 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m 54.83 46.37 24.65 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.395 1.478 . . . . 0.0 114.339 176.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -76.42 43.0 0.29 Allowed 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 125.889 1.676 . . . . 0.0 113.633 -175.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 15.8 tpt -72.01 94.95 1.53 Allowed 'General case' 0 CA--C 1.537 0.456 0 O-C-N 120.772 -1.205 . . . . 0.0 110.813 -176.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.591 ' HG3' ' HA ' ' B' ' 19' ' ' LYS . 40.7 ttp180 -55.58 145.25 23.8 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.757 1.623 . . . . 0.0 112.821 -174.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 18.7 mmt -123.37 74.93 1.28 Allowed 'General case' 0 C--N 1.341 0.233 0 CA-C-O 121.714 0.768 . . . . 0.0 110.547 174.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.449 ' HA ' ' HE2' ' B' ' 19' ' ' LYS . 65.9 m -79.38 102.9 8.95 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.342 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -134.47 140.15 46.01 Favored 'General case' 0 CA--C 1.536 0.423 1 C-N-CA 136.194 5.798 . . . . 0.0 106.558 -0.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 mt -89.12 -32.89 5.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 CA-C-N 118.601 0.637 . . . . 0.0 112.37 -177.029 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.97 8.84 58.82 Favored Glycine 0 CA--C 1.543 1.788 0 C-N-CA 123.981 0.8 . . . . 0.0 114.071 -171.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -139.82 -65.54 0.47 Allowed 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.669 1.588 . . . . 0.0 109.861 168.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 49.92 39.64 19.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.176 1.791 . . . . 0.0 113.487 -177.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 20.9 m-30 -61.52 169.08 2.48 Favored 'General case' 0 C--O 1.213 -0.82 0 C-N-CA 125.606 1.562 . . . . 0.0 112.263 178.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.8 t -39.02 -43.14 0.96 Allowed 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 117.06 2.244 . . . . 0.0 117.06 -171.162 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -77.82 -31.28 51.58 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 120.273 -1.517 . . . . 0.0 113.696 175.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -93.55 10.33 33.0 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 127.722 2.409 . . . . 0.0 112.738 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -69.17 -11.17 60.56 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.073 1.349 . . . . 0.0 113.947 -176.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.462 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -44.6 -27.82 0.52 Allowed 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 124.819 1.247 . . . . 0.0 114.26 -176.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.591 ' HA ' ' HG3' ' B' ' 5' ' ' ARG . 2.5 tptt -47.91 -69.42 0.12 Allowed 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.868 1.667 . . . . 0.0 113.049 163.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.495 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.06 -34.16 75.93 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.805 2.442 . . . . 0.0 109.947 -175.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.462 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -62.2 -43.18 99.4 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 128.472 2.709 . . . . 0.0 110.982 173.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -74.56 -41.1 61.14 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 117.909 -1.516 . . . . 0.0 107.389 -178.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -59.59 -33.45 71.47 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 125.344 1.458 . . . . 0.0 114.817 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.4 pt -82.29 -28.2 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 120.791 1.632 . . . . 0.0 112.871 169.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 9.4 tt -73.06 -31.12 64.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -177.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 26.6 pt -80.81 -172.09 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.676 1.19 . . . . 0.0 113.909 178.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -47.44 -43.72 24.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 127.737 2.415 . . . . 0.0 114.79 -172.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -152.52 160.51 43.23 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.081 1.353 . . . . 0.0 111.747 174.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -60.37 139.62 57.57 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.562 1.145 . . . . 0.0 111.798 176.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -131.16 -31.3 1.68 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -162.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.49 -37.52 39.24 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 120.25 1.387 . . . . 0.0 112.705 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.451 HG21 HG21 ' A' ' 32' ' ' ILE . 1.8 mp -60.36 -39.07 79.83 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 C-N-CA 124.94 1.296 . . . . 0.0 112.007 178.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 tt0 -60.0 -42.68 94.81 Favored 'General case' 0 C--O 1.24 0.559 0 O-C-N 121.444 -0.785 . . . . 0.0 110.52 179.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.75 -43.97 97.28 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-O 117.099 -1.429 . . . . 0.0 111.235 171.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 29.4 tp -55.9 -53.9 51.23 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 120.347 1.43 . . . . 0.0 111.703 -179.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 18.3 t -67.53 -38.52 84.34 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-O 121.835 0.826 . . . . 0.0 111.639 -175.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.4 t -61.0 -44.03 98.01 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 121.841 0.829 . . . . 0.0 110.584 174.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -69.75 -51.41 34.32 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.632 1.573 . . . . 0.0 111.715 -176.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 39' ' ' ILE . 2.2 pp -59.13 -40.83 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 O-C-N 121.494 -0.754 . . . . 0.0 111.324 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -71.63 -26.82 62.72 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 118.844 -1.142 . . . . 0.0 113.344 173.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -66.35 -24.33 66.49 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 120.923 -1.11 . . . . 0.0 112.09 172.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mp -81.21 -52.48 13.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 O-C-N 120.77 -1.206 . . . . 0.0 110.701 167.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -66.3 -40.49 90.03 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 -168.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 11.3 t -122.7 -30.16 3.91 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.649 1.179 . . . . 0.0 113.488 179.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -69.24 -25.99 74.99 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-N 119.812 1.187 . . . . 0.0 113.127 173.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . 0.262 81.1 p 57.85 38.17 27.1 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 127.677 2.391 . . . . 0.0 112.542 178.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.82 -49.17 40.88 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 124.95 1.3 . . . . 0.0 112.711 -173.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 25.14 65.54 0.05 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 128.827 2.851 . . . . 0.0 116.251 165.234 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 4.2 m -75.17 -161.62 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 C-N-CA 124.266 1.027 . . . . 0.0 111.654 173.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -48.95 173.76 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 125.542 1.537 . . . . 0.0 114.48 159.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -53.5 -7.98 0.73 Allowed Glycine 0 N--CA 1.476 1.315 0 N-CA-C 117.437 1.735 . . . . 0.0 117.437 178.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 40.1 m -46.63 -63.08 1.1 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 119.471 1.635 . . . . 0.0 110.94 167.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 3.3 t -72.42 -31.48 65.54 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.031 -1.043 . . . . 0.0 113.028 -172.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -55.17 -54.7 39.94 Favored 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.294 1.038 . . . . 0.0 110.175 169.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.516 ' HA ' HG12 ' B' ' 58' ' ' VAL . 22.5 tptt -62.14 -42.33 99.14 Favored 'General case' 0 N--CA 1.436 -1.139 0 C-N-CA 125.214 1.406 . . . . 0.0 112.551 -179.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.489 ' O ' HG22 ' B' ' 59' ' ' THR . 1.6 mptm? -53.62 -51.31 63.48 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 120.387 1.449 . . . . 0.0 111.149 169.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 tt -70.75 -35.54 72.7 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 120.135 -1.603 . . . . 0.0 113.22 -173.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.516 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.5 p -82.86 -26.83 8.14 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.519 0 C-N-CA 123.223 0.609 . . . . 0.0 112.092 177.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 56' ' ' LYS . 1.8 t -70.02 -34.46 73.31 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.774 -1.204 . . . . 0.0 112.061 173.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -46.73 -58.04 4.25 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.673 0.789 . . . . 0.0 109.652 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -37.05 78.79 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 176.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -55.34 -19.5 9.0 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.529 0.732 . . . . 0.0 112.873 178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 7.2 ttt85 -114.91 -40.2 3.56 Favored 'General case' 0 N--CA 1.484 1.257 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 166.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -58.77 -49.29 78.22 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -74.88 -35.96 62.29 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.898 1.279 . . . . 0.0 112.36 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -84.69 -60.25 2.12 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 115.64 1.718 . . . . 0.0 115.64 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -104.57 -49.32 3.57 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 -163.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--O 1.253 1.261 0 C-N-CA 125.897 1.679 . . . . 0.0 112.737 -168.714 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.556 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 88.5 p -147.06 173.67 12.25 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.604 1.562 . . . . 0.0 112.228 -178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 -131.13 160.28 35.18 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.445 1.498 . . . . 0.0 111.65 178.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 96.3 mtp -68.03 148.72 50.62 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.718 0.807 . . . . 0.0 111.846 170.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.424 ' HG3' ' HA ' ' A' ' 19' ' ' LYS . 22.8 ttp180 -128.38 150.85 49.93 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 126.531 1.932 . . . . 0.0 110.675 177.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 23.2 mmt -119.82 10.16 11.53 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 115.932 1.827 . . . . 0.0 115.932 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.507 ' HA ' ' HE3' ' A' ' 19' ' ' LYS 0.271 67.5 m 50.93 -91.72 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 127.214 2.206 . . . . 0.0 114.71 -176.256 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.79 99.71 4.69 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 122.188 2.267 . . . . 0.0 111.426 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.9 mt -82.6 -35.18 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.706 0 C-N-CA 125.178 1.391 . . . . 0.0 111.428 179.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.429 ' HA2' HG21 ' A' ' 59' ' ' THR . . . 102.11 3.28 51.47 Favored Glycine 0 CA--C 1.543 1.84 0 C-N-CA 125.148 1.356 . . . . 0.0 115.493 -177.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -141.81 -43.26 0.35 Allowed 'General case' 0 N--CA 1.486 1.34 0 CA-C-N 118.983 1.391 . . . . 0.0 112.482 166.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.77 47.14 15.22 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 127.722 2.409 . . . . 0.0 116.053 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 4.8 t80 -108.43 108.45 19.41 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -157.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . 0.322 3.2 t 52.39 -70.22 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 129.242 3.017 . . . . 0.0 114.744 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.89 -28.23 68.15 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.501 1.12 . . . . 0.0 112.537 167.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -104.41 9.17 35.81 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.471 1.108 . . . . 0.0 112.753 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -71.27 -11.98 61.21 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -42.84 -31.19 0.46 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 125.843 1.657 . . . . 0.0 114.533 -174.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.507 ' HE3' ' HA ' ' A' ' 7' ' ' SER . 3.4 tptp -52.27 -64.98 0.64 Allowed 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 125.863 1.665 . . . . 0.0 112.907 167.47 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD22 ' H ' ' A' ' 20' ' ' LEU . 2.0 mm? -70.16 -35.15 73.81 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 127.438 2.295 . . . . 0.0 109.735 -173.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -55.77 -52.35 64.26 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.065 1.346 . . . . 0.0 108.527 167.655 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.417 HD13 ' C ' ' A' ' 22' ' ' LEU . 1.4 tm? -69.01 -44.75 72.13 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 -164.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -56.02 -39.82 72.51 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 128.032 2.533 . . . . 0.0 114.985 176.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 15.1 pt -77.49 -27.28 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 CA-C-N 119.856 1.207 . . . . 0.0 112.668 172.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.3 tp -76.69 -30.69 56.82 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.342 1.057 . . . . 0.0 112.458 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.0 pt -77.54 -174.42 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.846 0 C-N-CA 125.299 1.44 . . . . 0.0 112.987 172.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -61.3 -29.25 69.75 Favored 'General case' 0 CA--C 1.549 0.915 0 N-CA-C 115.923 1.823 . . . . 0.0 115.923 -168.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 39.3 p-80 -151.73 152.24 32.47 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.207 1.003 . . . . 0.0 112.594 170.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -68.55 107.42 2.93 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-O 121.791 0.805 . . . . 0.0 111.614 -179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -93.13 -24.67 18.18 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 115.508 1.669 . . . . 0.0 115.508 -163.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.1 -34.4 21.84 Favored 'General case' 0 CA--C 1.549 0.904 0 CA-C-N 119.945 1.248 . . . . 0.0 113.714 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mp -63.6 -36.43 76.37 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.869 0 C-N-CA 124.179 0.992 . . . . 0.0 112.373 179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -54.58 -42.95 71.67 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 120.913 -1.117 . . . . 0.0 110.408 174.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.17 -45.87 86.48 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.216 174.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.6 tp -50.87 -55.81 15.23 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 120.335 1.425 . . . . 0.0 112.084 176.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.3 m -66.9 -39.82 87.55 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.917 0.865 . . . . 0.0 111.859 -173.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.9 t -62.39 -44.7 95.84 Favored 'General case' 0 CA--C 1.548 0.884 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.42 175.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -64.35 -54.14 37.69 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.174 1.79 . . . . 0.0 110.877 -177.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.9 pp -60.36 -40.4 83.9 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 121.595 -0.691 . . . . 0.0 111.981 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -72.37 -24.06 61.21 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 118.783 -1.167 . . . . 0.0 113.504 174.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -64.41 -31.54 72.79 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.583 1.083 . . . . 0.0 111.055 169.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.03 -47.85 26.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 O-C-N 120.512 -1.368 . . . . 0.0 110.702 171.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -67.47 -49.83 61.82 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 -171.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.0 t -117.83 -27.79 6.12 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.593 1.157 . . . . 0.0 113.249 -177.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.58 -16.42 73.92 Favored Glycine 0 CA--C 1.538 1.53 0 CA-C-N 119.414 1.006 . . . . 0.0 113.229 170.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . 0.318 61.9 p 54.68 35.95 25.02 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 127.519 2.328 . . . . 0.0 114.509 -177.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.9 mmtt -64.85 133.82 52.73 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 124.113 0.965 . . . . 0.0 110.765 171.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -156.06 112.59 3.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 126.41 1.884 . . . . 0.0 108.227 -177.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 1.5 m -137.9 -172.27 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.515 1.126 . . . . 0.0 112.042 -177.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -66.44 36.43 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 129.62 3.168 . . . . 0.0 117.051 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 80.1 -6.63 59.17 Favored Glycine 0 N--CA 1.473 1.132 0 C-N-CA 126.177 1.846 . . . . 0.0 115.07 -173.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.9 m -60.78 -58.99 6.13 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 119.801 1.801 . . . . 0.0 110.873 178.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -65.15 -33.2 75.45 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 120.688 -1.257 . . . . 0.0 112.916 -178.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -55.88 -58.31 8.41 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 124.554 1.142 . . . . 0.0 110.864 169.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 58' ' ' VAL . 20.1 tptt -58.92 -43.15 91.06 Favored 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 124.914 1.286 . . . . 0.0 112.445 -179.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.629 ' O ' HG22 ' A' ' 59' ' ' THR . 1.4 mptm? -52.86 -52.38 57.5 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 120.043 1.292 . . . . 0.0 111.517 170.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.1 pp -78.94 -25.43 43.61 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 119.505 -1.997 . . . . 0.0 114.85 -174.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 55' ' ' LYS . 4.0 p -81.96 -27.06 9.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.555 0 O-C-N 121.628 -0.67 . . . . 0.0 111.263 173.649 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.629 HG22 ' O ' ' A' ' 56' ' ' LYS . 2.8 t -68.76 -33.02 73.2 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 120.747 -1.221 . . . . 0.0 111.504 171.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -47.99 -57.65 5.47 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 118.589 -0.719 . . . . 0.0 110.281 176.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.39 -38.69 85.11 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 123.389 0.43 . . . . 0.0 111.231 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -57.22 -18.61 16.73 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 118.364 -0.827 . . . . 0.0 112.721 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.5 mmt180 -111.12 -38.34 5.08 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 161.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -61.55 -41.49 97.44 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 120.704 1.593 . . . . 0.0 112.756 -176.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -79.05 -35.75 42.08 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.603 1.561 . . . . 0.0 112.607 -179.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -103.25 -63.25 1.19 Allowed 'General case' 0 CA--C 1.549 0.921 0 N-CA-C 116.69 2.108 . . . . 0.0 116.69 -174.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -75.25 -45.86 37.38 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.827 1.651 . . . . 0.0 114.593 -169.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 28.6 m120 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 126.178 1.791 . . . . 0.0 112.813 -169.794 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 64.4 p -82.8 159.08 22.54 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.874 1.27 . . . . 0.0 112.833 176.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -129.63 122.49 29.15 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 125.233 1.413 . . . . 0.0 110.429 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 45.9 tpp -100.01 161.49 13.57 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.801 1.641 . . . . 0.0 111.254 -178.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ttp180 -131.6 146.8 52.39 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.534 1.133 . . . . 0.0 112.628 176.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' MET . . . . . . . . . . . . . 23.0 mmt -121.51 12.89 10.87 Favored 'General case' 0 N--CA 1.473 0.702 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . 0.482 ' HA ' ' HE3' ' B' ' 19' ' ' LYS . 68.8 m 46.36 -94.47 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.544 2.338 . . . . 0.0 115.187 -175.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.425 ' O ' ' HE3' ' B' ' 56' ' ' LYS . 5.5 mt -125.98 86.06 2.48 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 121.22 1.827 . . . . 0.0 110.594 -177.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 mt -67.21 -37.82 79.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.476 -0.765 . . . . 0.0 110.515 174.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.71 3.26 52.69 Favored Glycine 0 CA--C 1.542 1.73 0 C-N-CA 124.862 1.22 . . . . 0.0 114.122 -170.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -138.91 -59.69 0.59 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.656 1.182 . . . . 0.0 110.328 169.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.84 42.72 32.0 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 126.776 2.031 . . . . 0.0 114.257 178.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -101.25 108.99 20.78 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 123.884 0.874 . . . . 0.0 112.839 -158.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . 0.312 3.4 t 49.88 -71.96 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 128.738 2.815 . . . . 0.0 115.444 177.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -63.64 -32.1 73.47 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.0 1.32 . . . . 0.0 112.516 167.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 -101.73 8.87 41.38 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.4 1.08 . . . . 0.0 112.479 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -68.79 -10.82 58.88 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 115.518 1.673 . . . . 0.0 115.518 -179.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.429 ' HA ' ' HB3' ' B' ' 21' ' ' LEU . 2.9 pm0 -44.31 -31.03 0.91 Allowed 'General case' 0 N--CA 1.491 1.612 0 CA-C-N 120.397 1.453 . . . . 0.0 114.065 -174.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' LYS . . . . . 0.482 ' HE3' ' HA ' ' B' ' 7' ' ' SER . 3.1 tptp -47.91 -67.74 0.25 Allowed 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 125.504 1.522 . . . . 0.0 113.523 165.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' LEU . . . . . 0.5 HD22 ' H ' ' B' ' 20' ' ' LEU . 2.2 mm? -68.61 -37.5 79.84 Favored 'General case' 0 C--O 1.218 -0.574 0 C-N-CA 127.244 2.217 . . . . 0.0 109.379 -173.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.429 ' HB3' ' HA ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -50.92 -48.5 60.68 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 129.246 3.019 . . . . 0.0 111.14 168.423 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.4 tp -73.73 -44.79 55.31 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 118.543 -1.263 . . . . 0.0 108.095 -175.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -59.15 -37.92 78.44 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 126.102 1.761 . . . . 0.0 114.169 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 8.2 pt -79.24 -29.36 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 173.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 10.0 tt -71.74 -31.61 66.86 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.07 0.767 . . . . 0.0 113.07 179.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 pt -84.16 -170.86 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.616 1.166 . . . . 0.0 114.058 178.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -56.18 -35.38 67.17 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.545 2.338 . . . . 0.0 115.029 -172.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -148.93 145.19 27.28 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.889 1.276 . . . . 0.0 112.211 -176.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.42 71.61 0.66 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 127.126 2.171 . . . . 0.0 112.168 -175.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' TYR . . . . . 0.414 ' CE2' HD21 ' B' ' 34' ' ' LEU . 31.1 t80 -59.73 -36.05 75.79 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 115.747 1.758 . . . . 0.0 115.747 -162.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -39.17 -45.36 1.32 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 126.027 1.731 . . . . 0.0 114.09 169.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mp -66.59 -39.13 83.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 O-C-N 121.234 -0.916 . . . . 0.0 111.542 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -57.85 -40.81 81.04 Favored 'General case' 0 C--O 1.24 0.566 0 O-C-N 121.771 -0.581 . . . . 0.0 110.684 171.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.414 HD21 ' CE2' ' B' ' 30' ' ' TYR . 11.2 mt -58.55 -48.33 81.25 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.528 -1.225 . . . . 0.0 110.757 170.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tt -53.13 -55.74 21.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 119.96 1.255 . . . . 0.0 111.145 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 14.0 t -66.07 -39.26 89.93 Favored 'General case' 0 C--O 1.246 0.876 0 CA-C-N 119.464 1.029 . . . . 0.0 112.285 -176.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 5.5 t -63.14 -41.79 99.36 Favored 'General case' 0 CA--C 1.55 0.976 0 CA-C-O 121.966 0.888 . . . . 0.0 111.023 176.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -66.53 -55.79 13.85 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.813 2.045 . . . . 0.0 110.824 -178.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 2.2 pp -58.08 -41.79 81.41 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.215 0 O-C-N 121.757 -0.59 . . . . 0.0 111.442 -178.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -71.8 -28.48 63.63 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 118.821 -1.152 . . . . 0.0 113.462 176.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.27 -25.05 65.86 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.528 1.058 . . . . 0.0 111.366 174.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 mp -84.13 -48.48 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 120.673 -1.267 . . . . 0.0 110.467 172.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -67.64 -43.07 81.23 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.751 1.019 . . . . 0.0 113.751 -171.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 8.9 t -123.54 -31.89 3.43 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.595 1.158 . . . . 0.0 113.257 -179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLY . . . . . . . . . . . . . . . -66.24 -20.21 69.05 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 121.047 -1.033 . . . . 0.0 113.245 172.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 2.2 m 57.68 45.27 19.3 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 126.704 2.002 . . . . 0.0 113.834 176.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -59.99 144.94 47.97 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.262 -0.899 . . . . 0.0 110.685 161.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -143.91 123.69 13.41 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.488 1.115 . . . . 0.0 111.837 -176.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 6.2 p -164.17 169.72 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 127.372 2.269 . . . . 0.0 109.209 -179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -66.97 -162.51 0.02 OUTLIER 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.15 1.38 . . . . 0.0 112.116 166.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -54.42 -7.4 0.88 Allowed Glycine 0 N--CA 1.47 0.959 0 N-CA-C 117.889 1.916 . . . . 0.0 117.889 -171.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' THR . . . . . . . . . . . . . 60.2 m -47.22 -65.89 0.49 Allowed 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.469 1.634 . . . . 0.0 111.364 168.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -67.93 -35.58 78.68 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.97 -1.081 . . . . 0.0 113.098 -174.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 57.8 m-85 -50.67 -54.81 20.03 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.68 1.192 . . . . 0.0 110.05 170.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HA ' HG12 ' B' ' 58' ' ' VAL . 23.2 tptt -64.22 -44.98 90.23 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 125.534 1.533 . . . . 0.0 113.225 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.425 ' HE3' ' O ' ' B' ' 8' ' ' LEU . 0.7 OUTLIER -55.54 -44.85 77.11 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 121.118 1.781 . . . . 0.0 111.784 172.448 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' LEU . . . . . . . . . . . . . 7.1 tt -71.66 -42.31 67.66 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.301 -1.5 . . . . 0.0 112.653 -177.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' VAL . . . . . 0.461 HG12 ' HA ' ' B' ' 55' ' ' LYS . 4.9 p -79.6 -27.26 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 O-C-N 121.889 -0.507 . . . . 0.0 111.991 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 1.4 t -68.47 -37.2 79.95 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.074 -1.016 . . . . 0.0 111.325 172.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -47.68 -59.58 3.18 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 119.039 -0.505 . . . . 0.0 110.906 175.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -42.33 98.12 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.607 0.763 . . . . 0.0 111.754 178.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -62.53 -19.49 63.69 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.785 1.234 . . . . 0.0 113.088 -174.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -110.55 -33.5 6.57 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 116.02 1.859 . . . . 0.0 116.02 159.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' PHE . . . . . . . . . . . . . 9.9 t80 -53.46 -52.22 60.2 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 121.504 1.956 . . . . 0.0 112.461 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ARG . . . . . . . . . . . . . 5.6 ptm180 -84.78 -41.0 16.57 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 122.868 1.318 . . . . 0.0 113.365 -167.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -64.45 -52.28 58.85 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.144 -2.298 . . . . 0.0 114.306 173.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -118.83 -85.13 0.65 Allowed 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.599 1.56 . . . . 0.0 114.121 -170.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.252 1.208 0 C-N-CA 127.907 2.483 . . . . 0.0 112.025 -174.585 . . . . . . . . 1 1 . 1 stop_ save_