data_1sbo_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 1sbo _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 ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp . . . . . 0 N--CA 1.443 -0.775 0 CA-C-O 121.219 0.533 . . . . 0.0 109.708 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.446 ' H ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.68 159.15 28.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.869 2.467 . . . . 0.0 109.039 169.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.42 -38.8 5.38 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.997 -1.065 . . . . 0.0 112.042 -175.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mt 56.54 112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 128.966 2.907 . . . . 0.0 114.753 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.8 t -141.43 105.65 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.894 1.677 . . . . 0.0 109.237 -167.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.58 115.56 9.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 -153.64 0.22 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.1 -54.05 17.01 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.102 0.961 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -138.79 6.58 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.894 1.331 . . . . 0.0 112.095 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -120.47 139.48 52.81 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.533 1.933 . . . . 0.0 107.181 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.17 107.42 18.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.6 mt -86.07 94.77 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-O 122.063 0.935 . . . . 0.0 109.345 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.34 86.15 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 15.8 mtm180 -68.45 139.93 55.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 117.907 -1.517 . . . . 0.0 107.623 169.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.12 154.3 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.75 135.96 46.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.964 1.706 . . . . 0.0 109.202 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.05 156.95 32.26 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.74 162.24 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.684 1.193 . . . . 0.0 110.513 161.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 tt -118.48 105.87 18.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.646 1.178 . . . . 0.0 110.722 -159.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -142.63 -160.43 1.1 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.352 1.061 . . . . 0.0 113.637 -169.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.18 -32.16 9.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.509 2.324 . . . . 0.0 114.449 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -67.34 -45.92 74.96 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.979 1.263 . . . . 0.0 109.559 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -28.75 69.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.805 0.842 . . . . 0.0 109.384 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -15.67 29.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.098 1.499 . . . . 0.0 112.284 -172.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -121.66 -28.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 117.142 -1.409 . . . . 0.0 113.974 154.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.7 -71.55 0.1 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.416 1.462 . . . . 0.0 110.794 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.23 -35.77 67.74 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.401 1.001 . . . . 0.0 110.913 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -56.16 -46.87 79.14 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -65.18 -54.04 35.69 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.516 1.526 . . . . 0.0 111.089 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.59 0.2 1.73 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.822 2.049 . . . . 0.0 112.49 -175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.9 mt -120.32 -52.25 2.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.957 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -56.98 -35.13 68.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 122.428 2.376 . . . . 0.0 110.514 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -77.74 -43.88 29.51 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.53 -44.1 87.94 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.886 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mt -54.71 -25.01 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 120.276 1.398 . . . . 0.0 113.635 171.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -56.29 6.12 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 171.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 m -55.97 -42.63 76.59 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.856 2.062 . . . . 0.0 112.51 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -59.03 125.44 23.63 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.426 1.108 . . . . 0.0 111.084 -155.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -31.89 68.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.686 1.195 . . . . 0.0 108.612 170.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -99.77 133.22 44.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 118.955 0.798 . . . . 0.0 110.552 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -77.21 -36.0 55.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.433 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -81.04 89.7 5.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.924 1.238 . . . . 0.0 110.076 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.1 mm -80.01 96.3 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -171.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 t -86.08 136.58 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.82 143.77 34.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 19.1 t70 -118.14 119.37 34.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.103 1.361 . . . . 0.0 110.704 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.5 21.59 14.98 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 123.386 0.674 . . . . 0.0 111.394 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 t -58.31 -29.48 65.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.811 1.244 . . . . 0.0 111.628 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -99.07 3.55 46.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.29 1.436 . . . . 0.0 112.164 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.7 t -91.97 89.71 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -75.11 -24.95 58.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -142.08 155.8 45.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.075 1.75 . . . . 0.0 107.783 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 ttt -140.73 132.46 27.33 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.784 1.634 . . . . 0.0 109.5 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.54 166.38 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.987 1.715 . . . . 0.0 108.836 169.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -26.72 8.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.275 1.03 . . . . 0.0 112.265 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.12 48.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.733 1.613 . . . . 0.0 109.683 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.42 -64.62 1.52 Allowed Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 126.193 1.854 . . . . 0.0 111.474 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -38.36 77.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.984 -159.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.26 -29.87 75.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.154 0.909 . . . . 0.0 111.862 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -81.56 -23.61 37.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.174 0.99 . . . . 0.0 109.073 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -46.37 9.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 119.63 1.105 . . . . 0.0 110.533 176.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.37 -30.05 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 119.326 0.967 . . . . 0.0 113.259 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.55 -30.88 51.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.638 -1.289 . . . . 0.0 111.165 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.43 -18.03 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.66 0.784 . . . . 0.0 110.049 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.14 -39.67 90.94 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 120.341 -1.474 . . . . 0.0 109.964 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -69.57 -55.54 9.84 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 115.994 -1.955 . . . . 0.0 109.293 168.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -50.76 -40.8 55.83 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 122.126 2.239 . . . . 0.0 112.925 -173.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.49 46.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.782 -1.199 . . . . 0.0 109.361 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -16.9 52.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.607 1.963 . . . . 0.0 113.471 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.1 mt -71.1 -29.1 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 120.953 1.706 . . . . 0.0 109.031 170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -113.45 12.11 18.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.833 0.853 . . . . 0.0 112.99 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.46 51.28 57.38 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.314 1.435 . . . . 0.0 111.514 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -107.19 154.75 20.75 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.836 0.855 . . . . 0.0 109.575 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 173.76 8.94 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.874 1.27 . . . . 0.0 108.35 174.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -155.47 124.63 6.22 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.634 -0.667 . . . . 0.0 111.649 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.78 150.52 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.189 1.796 . . . . 0.0 107.159 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.3 mt -113.02 142.37 45.79 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.56 1.544 . . . . 0.0 107.687 170.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.82 164.11 31.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.096 0.474 . . . . 0.0 111.615 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t 60.94 27.07 16.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 113.41 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.91 129.66 41.37 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 120.751 -1.218 . . . . 0.0 110.625 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -66.35 151.54 46.9 Favored 'General case' 0 CA--C 1.492 -1.283 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.285 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -66.74 -28.38 68.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.703 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 t -70.05 -8.86 52.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.163 1.385 . . . . 0.0 113.141 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mm -120.97 -38.44 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 126.156 1.783 . . . . 0.0 108.63 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 m -54.87 -52.91 61.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.9 0.857 . . . . 0.0 108.857 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.27 -37.95 65.3 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.78 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -51.55 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.57 -50.59 71.46 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -56.76 -50.91 70.84 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.953 -1.092 . . . . 0.0 111.834 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 mt -54.05 -53.7 49.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.727 1.611 . . . . 0.0 109.937 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -80.51 18.85 0.86 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.425 1.09 . . . . 0.0 112.118 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 55.37 19.34 3.01 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 127.856 2.462 . . . . 0.0 115.297 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -76.83 -38.47 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.858 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -46.85 88.58 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.126 0.57 . . . . 0.0 109.703 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HE3' HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -57.58 -13.4 3.77 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 176.587 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.404 HG23 ' HE3' ' A' ' 99' ' ' LYS . 10.1 pt -125.57 9.75 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.253 1.821 . . . . 0.0 111.398 -174.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.1 m-85 -120.98 -158.09 0.74 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.008 2.123 . . . . 0.0 108.293 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -141.07 133.18 27.88 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 124.935 1.294 . . . . 0.0 108.268 169.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.75 133.4 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 O-C-N 124.816 1.322 . . . . 0.0 109.257 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -133.28 -176.44 4.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.193 1.797 . . . . 0.0 111.195 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.13 -34.93 6.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.936 1.294 . . . . 0.0 111.392 -161.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 49.8 p -128.85 153.27 47.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.144 1.778 . . . . 0.0 106.55 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.16 -22.7 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.489 -1.382 . . . . 0.0 110.692 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.82 -32.11 73.17 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.234 -0.916 . . . . 0.0 112.717 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -2.57 56.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.541 1.064 . . . . 0.0 112.457 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.905 1.682 . . . . 0.0 109.366 172.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.15 165.03 18.98 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 125.875 1.67 . . . . 0.0 108.263 173.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -119.59 -39.28 2.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.15 1.38 . . . . 0.0 109.943 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.5 mt 64.35 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 130.38 3.472 . . . . 0.0 114.371 167.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.96 83.18 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 127.586 2.355 . . . . 0.0 106.979 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.89 110.27 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 120.33 -1.481 . . . . 0.0 108.528 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -148.64 0.05 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -80.9 -52.68 7.19 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.28 -1.513 . . . . 0.0 110.986 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.75 -5.12 5.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.974 1.31 . . . . 0.0 112.738 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -113.32 124.57 52.78 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.255 1.822 . . . . 0.0 107.315 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.6 99.08 12.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.95 125.67 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t -111.11 93.63 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 168.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.79 120.02 6.69 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 162.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.95 161.29 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 170.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -135.79 145.22 46.29 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.378 1.471 . . . . 0.0 109.591 163.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.52 153.35 29.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 125.202 1.382 . . . . 0.0 110.32 170.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.66 165.44 1.65 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 122.06 0.933 . . . . 0.0 110.071 156.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -130.67 134.13 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.168 0.987 . . . . 0.0 108.658 -167.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -160.39 -173.75 4.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -167.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -19.46 61.49 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.396 1.478 . . . . 0.0 113.708 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.35 -14.98 39.26 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 119.973 1.261 . . . . 0.0 109.774 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.14 -14.0 13.46 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.68 1.592 . . . . 0.0 111.189 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -64.43 -4.96 4.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -116.18 -24.44 8.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.403 1.001 . . . . 0.0 111.133 160.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.63 -71.93 0.16 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.085 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.4 tp -51.5 -41.4 60.94 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.009 1.277 . . . . 0.0 110.702 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -54.82 -50.01 69.63 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.984 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.68 -49.23 78.56 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.555 1.142 . . . . 0.0 112.174 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -58.31 -16.0 12.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.781 1.632 . . . . 0.0 110.907 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.95 -45.26 2.98 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-O 114.428 -2.701 . . . . 0.0 112.235 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -41.68 64.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 123.974 3.079 . . . . 0.0 110.402 171.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -75.11 -34.9 61.75 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -171.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -73.8 -43.64 58.25 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.318 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.07 -40.02 35.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 120.016 1.28 . . . . 0.0 111.464 175.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.4 t -53.42 -55.78 22.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.52 1.528 . . . . 0.0 109.244 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.5 m -57.81 -54.62 44.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.326 1.451 . . . . 0.0 112.25 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.251 9.9 t -64.85 136.89 57.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 122.952 1.358 . . . . 0.0 113.618 -136.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 m -78.99 -1.4 35.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.904 1.682 . . . . 0.0 113.003 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -119.47 161.37 20.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.873 -1.142 . . . . 0.0 109.353 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -49.83 3.7 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.995 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HE3' ' CD1' ' A' ' 80' ' ' ILE . 4.6 tttp -74.0 94.07 2.31 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 117.604 -1.188 . . . . 0.0 110.598 -172.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.6 mm -83.78 110.38 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.38 116.42 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.01 1.724 . . . . 0.0 109.74 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 109.31 14.51 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -164.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -91.14 118.69 30.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 127.424 2.289 . . . . 0.0 110.143 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.5 23.73 14.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.728 1.604 . . . . 0.0 113.3 -170.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.0 p -58.1 -26.01 62.05 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -86.26 -7.09 58.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.854 1.262 . . . . 0.0 112.045 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -93.11 79.4 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -164.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -72.69 -18.49 61.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.751 1.62 . . . . 0.0 113.509 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -145.38 156.6 43.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.536 1.535 . . . . 0.0 107.426 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttt -143.85 139.61 29.36 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.38 171.81 7.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.144 1.378 . . . . 0.0 108.904 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 m -55.88 -16.55 4.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.019 0.928 . . . . 0.0 113.334 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.78 39.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.895 0.878 . . . . 0.0 111.835 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.62 -49.7 23.22 Favored Glycine 0 C--O 1.224 -0.49 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -169.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -61.18 -45.87 92.83 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.456 1.502 . . . . 0.0 109.958 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.7 47.62 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.673 1.606 . . . . 0.0 114.021 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.2 m -100.41 -47.05 5.04 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.568 2.347 . . . . 0.0 107.283 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 mt -57.58 -46.44 83.98 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 120.262 1.392 . . . . 0.0 110.195 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.71 -25.88 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.6 -47.49 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.2 1.0 . . . . 0.0 108.764 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mm -67.54 -35.63 73.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.159 -169.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -39.97 68.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.071 1.305 . . . . 0.0 110.558 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -63.15 -64.84 0.79 Allowed 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.76 -46.32 2.64 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.859 2.064 . . . . 0.0 112.955 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.12 -63.63 1.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.455 1.902 . . . . 0.0 108.478 173.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -43.54 65.93 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.584 1.154 . . . . 0.0 112.28 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.2 mt -55.05 -27.99 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 126.176 1.791 . . . . 0.0 109.833 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -113.44 19.61 16.78 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.33 30.46 58.6 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.628 1.109 . . . . 0.0 113.364 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.4 172.44 7.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.119 1.459 . . . . 0.0 109.191 -172.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -128.31 170.95 12.47 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.855 2.062 . . . . 0.0 108.812 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -150.43 130.59 13.57 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.362 0.983 . . . . 0.0 111.714 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.41 ' CD1' ' HE3' ' A' ' 46' ' ' LYS . 36.4 mt -144.07 145.3 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.684 1.594 . . . . 0.0 107.067 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.24 148.81 30.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.891 1.676 . . . . 0.0 108.827 171.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 p -139.72 160.83 38.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.82 1.248 . . . . 0.0 110.276 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.5 33.59 19.21 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.014 -1.054 . . . . 0.0 113.303 171.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.93 138.67 54.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.405 -0.81 . . . . 0.0 109.742 -174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -69.34 147.32 51.27 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.09 -39.16 71.7 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.115 0.884 . . . . 0.0 109.62 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 m -71.04 -17.82 62.6 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.68 -35.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 m -57.93 -49.54 76.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.284 -0.885 . . . . 0.0 109.304 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.58 -36.38 69.28 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.483 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.1 -51.62 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 -172.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.95 -51.62 68.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -53.48 -49.28 67.8 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.719 0.808 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.44 -58.32 8.22 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 126.802 2.041 . . . . 0.0 111.492 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.8 m -73.27 3.39 5.84 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 76.1 32.34 0.62 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 128.797 2.839 . . . . 0.0 111.436 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mp -85.86 -41.21 15.19 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.872 1.269 . . . . 0.0 111.594 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -33.38 75.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.044 1.293 . . . . 0.0 109.903 -168.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -24.82 66.65 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 171.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.68 3.87 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 120.268 1.394 . . . . 0.0 111.562 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.11 -166.86 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.419 2.288 . . . . 0.0 106.378 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -137.53 134.49 35.74 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.261 1.424 . . . . 0.0 107.617 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.74 130.74 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 125.411 1.484 . . . . 0.0 108.716 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.5 p -131.96 176.53 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.645 1.178 . . . . 0.0 111.435 171.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.34 -55.37 4.36 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.7 p -113.41 167.05 10.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.222 1.009 . . . . 0.0 108.333 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.12 -20.4 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.705 167.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.53 -56.6 18.24 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.521 1.128 . . . . 0.0 109.672 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -9.27 52.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.254 0 C-N-CA 128.849 2.86 . . . . 0.0 112.283 -175.403 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.325 0 CA-C-O 123.132 1.444 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.43 144.4 51.37 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 128.928 2.891 . . . . 0.0 105.494 165.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.26 -42.67 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.007 1.323 . . . . 0.0 109.555 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt 60.06 123.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 129.082 2.953 . . . . 0.0 114.201 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.63 80.63 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 127.221 2.208 . . . . 0.0 106.325 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -57.88 119.07 6.06 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -103.87 -162.71 0.92 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.939 1.696 . . . . 0.0 109.55 -176.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -59.63 -52.7 64.39 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.232 0.613 . . . . 0.0 110.506 -159.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.88 9.52 3.58 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.808 1.243 . . . . 0.0 110.587 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -132.69 133.23 43.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.533 1.533 . . . . 0.0 109.041 -168.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.2 111.47 23.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.68 99.03 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.19 93.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 163.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -69.89 116.22 10.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 116.63 -2.028 . . . . 0.0 106.143 162.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.43 166.48 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 171.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 40.9 mt-30 -133.89 136.7 44.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.877 0.871 . . . . 0.0 109.621 155.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 142.03 12.73 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.928 1.252 . . . . 0.0 114.406 164.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -54.46 136.18 44.65 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 127.613 2.365 . . . . 0.0 110.014 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 tt -96.19 115.82 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.644 0.735 . . . . 0.0 109.146 -169.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -134.46 -162.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 110.154 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.33 73.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.306 1.442 . . . . 0.0 113.422 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -63.39 -45.43 91.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 120.141 1.337 . . . . 0.0 107.77 172.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -78.44 -16.02 58.02 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -65.49 -18.13 65.08 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 123.796 0.838 . . . . 0.0 110.79 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -116.05 -22.91 8.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.63 166.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.31 -67.29 0.48 Allowed 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.35 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -47.77 -44.58 28.42 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 121.088 1.767 . . . . 0.0 110.843 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.993 1.317 . . . . 0.0 108.811 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.11 -55.37 33.25 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 126.252 1.821 . . . . 0.0 111.645 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -57.29 -27.3 62.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.689 1.196 . . . . 0.0 109.47 -171.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.84 -47.84 7.38 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-O 114.399 -2.715 . . . . 0.0 111.689 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.68 -33.31 72.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 124.106 3.139 . . . . 0.0 111.678 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -66.16 -48.55 70.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.13 -47.32 86.76 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.213 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.18 -31.15 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.65 1.18 . . . . 0.0 111.555 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -57.47 11.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.995 1.318 . . . . 0.0 108.782 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -65.98 -35.3 80.22 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.083 1.753 . . . . 0.0 114.067 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 t -63.77 124.97 22.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 123.475 1.607 . . . . 0.0 111.598 -152.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -81.03 3.98 21.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 113.99 -1.459 . . . . 0.0 112.065 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -128.8 142.78 50.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 126.937 2.095 . . . . 0.0 108.63 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -89.73 -41.32 11.96 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.89 -173.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -57.41 128.1 35.34 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 116.749 -1.596 . . . . 0.0 109.444 169.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -117.47 103.19 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.89 132.34 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.07 103.65 10.45 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 124.032 0.933 . . . . 0.0 110.491 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.34 120.89 21.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.467 -1.73 . . . . 0.0 108.802 174.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.1 19.44 19.54 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 122.125 2.239 . . . . 0.0 113.176 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t -55.24 -31.94 61.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.962 -0.461 . . . . 0.0 111.637 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 1.1 t -87.16 2.79 48.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 112.383 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.4 90.76 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -168.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -87.57 -20.14 26.85 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.662 1.985 . . . . 0.0 114.741 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -124.31 166.29 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.005 2.122 . . . . 0.0 107.99 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.9 ttt -160.85 140.11 10.51 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.74 169.86 9.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.736 0.814 . . . . 0.0 110.401 172.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.8 m -56.57 -17.89 10.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.292 1.037 . . . . 0.0 112.462 167.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.99 69.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.779 1.172 . . . . 0.0 109.246 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -51.66 -53.36 29.53 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 126.258 1.885 . . . . 0.0 110.532 -176.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -35.06 76.36 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 118.285 -2.891 . . . . 0.0 110.879 -168.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.47 -26.07 69.26 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.362 0.982 . . . . 0.0 112.882 169.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 12.2 m -69.27 -54.76 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 106.543 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.39 -45.17 92.31 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.929 1.292 . . . . 0.0 109.832 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -71.34 -15.92 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 120.957 -1.089 . . . . 0.0 113.773 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -34.89 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.616 -0.678 . . . . 0.0 110.972 167.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.14 -31.7 55.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 123.575 0.75 . . . . 0.0 109.961 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -10.7 53.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.48 -1.388 . . . . 0.0 112.165 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -90.13 -72.85 0.54 Allowed 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 167.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.56 -41.31 2.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.863 1.665 . . . . 0.0 114.575 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.74 -59.88 3.45 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 126.65 1.98 . . . . 0.0 109.524 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -45.39 35.79 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.648 1.579 . . . . 0.0 111.012 174.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.49 -29.88 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.733 2.013 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.84 12.57 32.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.985 1.314 . . . . 0.0 112.47 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.78 39.94 65.31 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.884 1.23 . . . . 0.0 112.358 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.22 159.69 26.77 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.366 1.083 . . . . 0.0 111.855 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.05 -176.21 6.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 127.453 2.301 . . . . 0.0 110.361 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -167.8 124.98 1.14 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.901 1.68 . . . . 0.0 109.277 171.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.5 mt -142.75 148.88 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 129.097 2.959 . . . . 0.0 105.528 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.4 mt -116.79 142.36 47.02 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.196 0.999 . . . . 0.0 108.965 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.3 167.76 21.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.018 0.527 . . . . 0.0 111.638 172.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 58.07 31.11 20.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.805 2.042 . . . . 0.0 112.746 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.43 128.42 36.11 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.15 -0.969 . . . . 0.0 110.921 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -71.67 146.61 48.14 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.702 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -68.09 -20.31 64.93 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.844 -171.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 -0.79 51.4 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.952 173.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -117.98 -37.21 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 126.437 1.895 . . . . 0.0 108.251 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -57.07 -48.23 79.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -54.54 -37.3 65.25 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 112.59 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -48.84 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -171.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -55.2 -51.19 67.36 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -55.89 -50.45 70.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.944 0.898 . . . . 0.0 111.237 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.6 mt -50.82 -45.26 59.38 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.09 2.156 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -99.1 27.58 4.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.221 1.408 . . . . 0.0 110.664 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 54.42 26.16 6.79 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 129.103 2.961 . . . . 0.0 115.902 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.06 -39.26 14.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 124.404 1.082 . . . . 0.0 112.878 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.03 -37.36 86.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.502 1.046 . . . . 0.0 109.847 -174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -60.4 -7.12 1.85 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.539 -1.696 . . . . 0.0 114.45 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.5 pt -139.14 -9.34 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.715 2.052 . . . . 0.0 113.564 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -98.8 -177.57 3.69 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.805 1.642 . . . . 0.0 108.409 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.6 118.55 33.43 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.506 -0.746 . . . . 0.0 110.97 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.67 129.44 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 109.598 -173.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 175.59 8.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.803 1.641 . . . . 0.0 109.704 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.31 -64.03 1.18 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 p -103.24 146.44 28.43 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.81 -32.13 42.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.483 -0.761 . . . . 0.0 109.664 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.29 -36.28 68.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.084 0.954 . . . . 0.0 112.36 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.13 -1.27 31.75 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.649 -178.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.514 ' H ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.29 152.59 18.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 172.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -23.35 7.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.781 0.832 . . . . 0.0 111.931 -162.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mt 42.22 110.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 130.525 3.53 . . . . 0.0 114.837 163.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -135.69 95.93 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 126.812 2.045 . . . . 0.0 107.551 -170.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.88 116.79 13.8 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.262 -1.523 . . . . 0.0 108.351 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -151.4 0.19 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.014 1.325 . . . . 0.0 108.971 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.98 -57.32 8.07 Favored 'General case' 0 CA--C 1.517 -0.315 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -172.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -139.07 10.14 2.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 123.598 1.666 . . . . 0.0 113.214 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -120.79 136.57 54.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 129.368 3.067 . . . . 0.0 107.201 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 115.55 28.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.964 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -82.85 92.88 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.5 t -79.21 89.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 166.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -67.65 133.16 48.87 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 165.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -98.06 159.25 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 173.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -132.74 145.06 50.71 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 125.147 1.379 . . . . 0.0 108.441 165.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.87 149.7 26.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 126.437 1.97 . . . . 0.0 110.166 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.8 159.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 110.164 147.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 tt -122.91 118.06 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 C-N-CA 127.767 2.427 . . . . 0.0 107.324 -172.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -136.3 -175.99 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.049 -1.032 . . . . 0.0 112.862 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.33 -31.09 68.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.813 1.645 . . . . 0.0 113.483 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -76.43 -34.45 58.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.689 1.132 . . . . 0.0 109.918 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -80.76 -10.1 59.75 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.657 1.183 . . . . 0.0 108.347 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -68.02 -6.12 20.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 126.862 2.065 . . . . 0.0 113.008 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -111.51 -25.04 9.79 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 119.596 1.089 . . . . 0.0 110.78 163.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.75 -67.49 0.55 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.983 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -49.74 -44.85 48.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.64 2.018 . . . . 0.0 111.12 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -50.85 -55.73 15.59 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.087 0.867 . . . . 0.0 110.27 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.38 -43.29 98.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -64.52 -24.57 67.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.205 0.602 . . . . 0.0 110.118 -174.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.59 -44.41 11.26 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-O 114.478 -2.677 . . . . 0.0 111.71 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -36.71 75.44 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 125.213 3.642 . . . . 0.0 110.631 174.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -67.34 -43.52 81.36 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -76.73 -44.09 34.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.085 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -49.58 -37.29 11.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 120.672 1.578 . . . . 0.0 111.366 168.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -14.12 60.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.068 1.304 . . . . 0.0 112.816 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -84.76 -53.82 5.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 120.303 1.41 . . . . 0.0 110.107 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -51.23 113.42 0.93 Allowed 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.775 2.03 . . . . 0.0 111.135 -141.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 t -62.12 -35.46 78.79 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.123 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.73 144.37 25.58 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.445 -0.784 . . . . 0.0 110.11 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -78.33 -42.47 30.52 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 117.768 -1.111 . . . . 0.0 113.119 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -81.57 92.69 6.57 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 117.437 -1.268 . . . . 0.0 110.745 -164.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mm -85.24 103.3 12.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -94.76 138.1 21.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.59 111.03 19.31 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 110.144 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -90.61 114.41 26.66 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.182 -1.389 . . . . 0.0 109.391 -173.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 mt -107.85 24.35 13.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 120.634 1.561 . . . . 0.0 113.31 -166.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -64.35 -19.69 65.63 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.888 1.675 . . . . 0.0 113.145 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 m -105.38 -5.47 20.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.736 1.614 . . . . 0.0 111.037 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.26 101.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -92.73 -28.1 16.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -173.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -135.98 152.81 51.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.97 1.308 . . . . 0.0 107.626 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 ttt -147.88 132.57 17.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.01 1.724 . . . . 0.0 108.173 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.28 -179.3 4.32 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.315 0.646 . . . . 0.0 109.535 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -66.24 -6.89 15.29 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.968 -1.082 . . . . 0.0 112.827 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.74 82.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.645 0.778 . . . . 0.0 109.653 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.3 -35.17 77.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 125.268 1.413 . . . . 0.0 110.95 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.02 -58.73 7.29 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.78 -5.49 13.75 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.418 2.437 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 m -96.59 -16.56 20.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.43 -1.041 . . . . 0.0 110.563 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -118.08 -43.32 2.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.737 1.215 . . . . 0.0 110.72 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.6 -27.91 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 123.48 0.712 . . . . 0.0 110.264 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -43.18 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.638 0.775 . . . . 0.0 110.241 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mm -67.39 -22.23 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 124.116 0.966 . . . . 0.0 110.339 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.37 -39.59 70.28 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 119.171 0.896 . . . . 0.0 110.618 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -71.13 -63.95 1.0 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.468 170.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.43 -44.99 12.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.7 1.136 . . . . 0.0 113.607 -171.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.5 44.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.818 1.647 . . . . 0.0 110.781 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -43.09 59.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.503 1.121 . . . . 0.0 111.364 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.4 mt -54.69 -47.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 119.095 0.862 . . . . 0.0 109.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -86.03 -0.75 56.33 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.474 0.654 . . . . 0.0 111.531 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.02 41.17 72.06 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.201 1.381 . . . . 0.0 111.182 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -112.04 152.94 27.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.043 0.921 . . . . 0.0 109.207 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -83.06 -179.85 7.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.649 1.179 . . . . 0.0 109.514 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -157.82 128.63 6.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.182 -0.949 . . . . 0.0 110.907 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 75.5 mt -145.57 156.14 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 128.25 2.62 . . . . 0.0 105.545 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt -117.77 148.44 42.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 168.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.55 163.43 32.86 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.838 0.855 . . . . 0.0 110.595 171.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.16 64.11 1.3 Allowed 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.8 1.64 . . . . 0.0 114.64 173.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.77 149.54 21.55 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.293 -0.879 . . . . 0.0 110.359 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -79.64 154.31 28.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.23 -31.66 71.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.319 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.0 m -76.74 -19.16 57.97 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.577 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mm -97.74 -38.33 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -46.26 90.96 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -56.76 -38.64 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.554 -1.341 . . . . 0.0 112.15 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.77 -46.69 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -173.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.44 -44.21 96.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -58.61 -53.64 56.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.562 1.074 . . . . 0.0 111.187 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -49.33 -57.03 7.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 127.295 2.238 . . . . 0.0 109.992 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.11 16.26 2.47 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.961 0.904 . . . . 0.0 112.367 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.45 4.58 0.52 Allowed 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 129.494 3.117 . . . . 0.0 114.724 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.64 -35.94 71.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.065 1.302 . . . . 0.0 112.254 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.7 -22.51 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.454 0.57 . . . . 0.0 111.677 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.58 2.09 46.41 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.533 172.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 pt -131.01 -25.11 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.449 1.477 . . . . 0.0 111.866 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -82.45 -175.12 5.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.862 2.065 . . . . 0.0 109.43 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -125.85 128.02 46.98 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 124.666 1.187 . . . . 0.0 107.81 171.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.29 115.66 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 125.047 1.467 . . . . 0.0 107.868 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.65 178.52 4.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.312 1.845 . . . . 0.0 110.389 176.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.02 -42.96 8.0 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 120.707 -1.246 . . . . 0.0 111.121 -169.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 p -121.14 152.25 38.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.08 -15.78 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 121.545 -0.722 . . . . 0.0 111.373 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.08 -35.05 56.85 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.157 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -28.84 65.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 120.127 1.331 . . . . 0.0 110.807 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.507 1.523 . . . . 0.0 110.27 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mttp . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.61 159.99 19.81 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -38.73 5.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 124.15 0.98 . . . . 0.0 110.99 -165.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 77.6 mt 62.26 116.52 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 127.116 2.166 . . . . 0.0 113.522 165.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.22 91.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 125.89 1.676 . . . . 0.0 107.067 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.65 115.73 7.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.494 -1.379 . . . . 0.0 109.562 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -158.95 0.18 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.6 -59.68 4.3 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.301 1.84 . . . . 0.0 111.026 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -135.04 3.65 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 0.0 111.956 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -115.26 135.45 54.14 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 120.552 -1.342 . . . . 0.0 109.664 166.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 110.35 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 117.971 -1.014 . . . . 0.0 108.496 170.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.7 92.68 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 119.466 1.03 . . . . 0.0 108.513 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.69 90.38 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 123.549 1.642 . . . . 0.0 108.146 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -73.36 120.07 18.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.038 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.04 154.76 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -129.74 127.25 40.04 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.703 1.601 . . . . 0.0 109.94 159.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 169.65 14.02 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 107.83 -2.108 . . . . 0.0 107.83 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -69.81 -169.96 0.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 129.736 3.214 . . . . 0.0 109.309 166.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.413 HG21 ' HG3' ' A' ' 57' ' ' MET . 4.9 tp -145.03 96.85 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 120.224 -1.548 . . . . 0.0 110.963 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -133.9 -175.52 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.999 1.32 . . . . 0.0 112.04 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.81 10.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.825 2.05 . . . . 0.0 114.89 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -87.95 -33.11 18.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.896 1.225 . . . . 0.0 109.8 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.05 -15.87 49.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 -2.1 0.21 Allowed 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 170.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -120.19 -35.37 3.47 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.647 -1.168 . . . . 0.0 112.191 156.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.94 -58.37 6.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.487 1.039 . . . . 0.0 109.898 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -55.06 -50.73 68.4 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.261 0.937 . . . . 0.0 108.509 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -52.65 -42.24 64.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.447 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -76.12 -39.63 54.7 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.363 0.665 . . . . 0.0 110.604 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.17 -43.91 61.4 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.96 -46.79 10.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 115.862 -2.018 . . . . 0.0 113.086 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -31.37 61.87 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.982 2.628 . . . . 0.0 110.886 175.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -72.76 -53.45 11.57 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.403 1.081 . . . . 0.0 109.382 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -69.55 -41.42 75.92 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.742 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -45.27 -35.27 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.696 1.134 . . . . 0.0 113.124 170.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -46.55 56.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.672 1.124 . . . . 0.0 110.56 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -39.82 92.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.629 -0.701 . . . . 0.0 111.878 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -65.27 134.43 53.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 119.331 -0.947 . . . . 0.0 112.022 -154.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.69 4.99 26.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 128.299 2.64 . . . . 0.0 112.194 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -126.92 155.14 43.53 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 120.468 1.485 . . . . 0.0 108.431 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -86.85 -42.48 13.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.399 -1.728 . . . . 0.0 110.009 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -79.75 86.78 5.29 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.942 1.246 . . . . 0.0 111.957 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.83 93.53 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.5 t -83.72 147.62 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.25 150.53 36.04 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -123.0 118.51 27.95 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -115.31 20.8 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.019 1.327 . . . . 0.0 111.212 -168.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -26.24 64.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 126.715 2.006 . . . . 0.0 112.863 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -89.06 -6.55 57.03 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.193 1.397 . . . . 0.0 113.033 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -89.66 103.03 13.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -30.99 22.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.742 1.217 . . . . 0.0 111.361 173.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -135.49 150.24 49.74 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 126.025 1.73 . . . . 0.0 109.603 -173.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.413 ' HG3' HG21 ' A' ' 23' ' ' ILE . 8.2 ttm -139.04 129.45 25.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.348 1.059 . . . . 0.0 108.572 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.92 160.87 23.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.2 m -57.06 2.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 115.258 167.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.78 -10.6 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 120.288 1.404 . . . . 0.0 113.655 167.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -51.54 -61.02 6.71 Favored Glycine 0 C--O 1.204 -1.74 0 CA-C-O 123.957 1.865 . . . . 0.0 109.381 170.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.453 ' H ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -52.14 -38.04 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 118.445 -2.797 . . . . 0.0 114.108 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.09 -19.12 77.0 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 24.2 m -72.93 -51.18 19.48 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.226 2.21 . . . . 0.0 107.296 168.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.3 -49.95 65.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 123.597 0.759 . . . . 0.0 111.748 -173.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -24.83 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 119.386 0.994 . . . . 0.0 113.432 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.517 1.127 . . . . 0.0 108.673 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -62.66 -32.36 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.48 -40.61 62.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.829 1.195 . . . . 0.0 110.299 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -73.14 -64.25 1.01 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 116.981 -1.485 . . . . 0.0 108.657 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.0 -45.83 0.93 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.721 1.601 . . . . 0.0 112.649 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.94 4.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.081 1.752 . . . . 0.0 110.57 172.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.05 51.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.753 1.621 . . . . 0.0 112.575 175.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.5 mt -56.7 -46.92 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.851 1.26 . . . . 0.0 108.224 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -93.13 10.32 32.18 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.053 1.341 . . . . 0.0 111.72 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.92 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.729 1.157 . . . . 0.0 113.541 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -103.93 167.29 9.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.071 0.935 . . . . 0.0 109.651 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.7 169.51 8.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.453 2.301 . . . . 0.0 109.43 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -151.5 132.53 14.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.336 -0.852 . . . . 0.0 110.372 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -148.57 150.49 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.798 2.039 . . . . 0.0 107.829 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -117.17 130.85 56.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.45 1.5 . . . . 0.0 108.262 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.46 160.75 34.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.012 0.525 . . . . 0.0 110.884 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.86 28.07 15.51 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.294 1.437 . . . . 0.0 113.714 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.5 mt -61.62 133.69 55.92 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 120.623 -1.298 . . . . 0.0 108.499 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -72.52 159.98 33.04 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-O 121.538 0.685 . . . . 0.0 109.265 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.23 -31.37 67.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.241 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -80.36 -12.9 59.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.893 0.877 . . . . 0.0 112.616 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.75 -36.47 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.971 1.308 . . . . 0.0 108.346 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.9 m -59.41 -49.0 79.49 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -53.75 -36.14 62.03 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.466 -0.772 . . . . 0.0 112.69 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.24 -49.4 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -172.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.1 -45.43 90.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -60.02 -47.72 84.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.142 -1.599 . . . . 0.0 111.823 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.88 -63.12 1.24 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.447 1.899 . . . . 0.0 108.109 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.44 19.99 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.962 1.305 . . . . 0.0 113.404 -178.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.75 30.07 8.39 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.755 2.422 . . . . 0.0 114.299 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -30.6 22.72 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 127.462 2.305 . . . . 0.0 110.773 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -49.67 71.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.066 0.848 . . . . 0.0 108.842 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 4.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.187 1.795 . . . . 0.0 115.744 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 pt -139.26 5.98 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 126.979 2.112 . . . . 0.0 111.463 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.32 -161.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.106 3.363 . . . . 0.0 109.736 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -140.81 126.15 18.71 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.533 1.933 . . . . 0.0 111.789 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.49 115.04 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 125.596 1.558 . . . . 0.0 109.893 -171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -121.46 177.33 5.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.159 1.384 . . . . 0.0 109.879 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -93.7 -53.36 4.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -169.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.1 p -110.25 153.39 24.89 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.94 -26.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.409 -0.807 . . . . 0.0 111.072 169.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -41.8 93.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.547 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.42 -13.57 61.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.682 1.128 . . . . 0.0 113.297 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.296 1.438 . . . . 0.0 110.041 -172.513 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 123.02 1.39 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mt -121.35 159.54 25.89 Favored 'General case' 0 N--CA 1.42 -1.935 0 C-N-CA 127.854 2.462 . . . . 0.0 106.973 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -103.87 -53.75 2.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.502 1.921 . . . . 0.0 107.379 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.0 mt 57.67 129.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 130.455 3.502 . . . . 0.0 113.17 -172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 t -143.21 81.31 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -57.47 110.84 0.94 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 170.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.9 -164.29 1.11 Allowed 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.54 1.136 . . . . 0.0 108.339 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -58.2 -61.84 2.27 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.281 2.232 . . . . 0.0 113.216 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -129.35 7.35 5.37 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.621 1.568 . . . . 0.0 110.704 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -140.81 137.41 33.29 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 129.0 2.92 . . . . 0.0 106.532 -164.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 109.12 20.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.21 112.85 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.3 t -99.08 85.04 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 163.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -61.5 127.47 31.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 166.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.82 159.31 2.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 171.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -124.57 147.45 48.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.04 0.936 . . . . 0.0 112.061 154.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.07 153.08 29.0 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 124.417 1.008 . . . . 0.0 112.17 173.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.07 166.9 1.4 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 111.871 164.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 tt -138.69 96.88 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.804 2.042 . . . . 0.0 110.101 -151.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -148.48 -165.96 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.103 1.361 . . . . 0.0 111.083 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.63 -28.56 5.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.619 1.568 . . . . 0.0 113.332 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.66 -44.38 70.63 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.488 1.115 . . . . 0.0 109.404 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.36 -13.47 46.37 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -61.04 -4.38 1.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 p -120.62 -37.36 3.02 Favored 'General case' 0 C--O 1.227 -0.105 0 O-C-N 120.343 -1.473 . . . . 0.0 112.706 150.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -57.0 -65.22 0.66 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.332 0.653 . . . . 0.0 110.723 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 tt -53.38 -47.78 69.19 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.828 0.74 . . . . 0.0 110.558 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -50.94 -43.92 60.31 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.022 0.929 . . . . 0.0 110.355 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.77 -45.62 64.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -57.75 -14.37 5.66 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 124.734 1.214 . . . . 0.0 113.238 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.8 mt -105.07 -49.98 3.35 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-O 115.292 -2.289 . . . . 0.0 112.095 171.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.19 -33.98 77.05 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 123.819 3.009 . . . . 0.0 111.519 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -72.41 -38.5 68.37 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.113 0.965 . . . . 0.0 108.977 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.79 -52.06 34.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.607 -1.187 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.68 -37.36 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.596 1.089 . . . . 0.0 112.629 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -58.76 -47.94 82.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.091 1.356 . . . . 0.0 110.106 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -64.51 -54.81 26.4 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.861 0.865 . . . . 0.0 111.202 171.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.31 118.12 4.13 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.043 1.737 . . . . 0.0 112.076 -147.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 t -58.18 -47.77 82.39 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.612 1.565 . . . . 0.0 108.768 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.24 132.21 34.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -163.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -69.87 -52.41 25.08 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.051 -174.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -73.65 97.78 2.73 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 117.162 -1.399 . . . . 0.0 111.87 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -85.86 99.89 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -92.0 140.7 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.78 99.25 4.12 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.217 1.371 . . . . 0.0 112.967 -166.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.55 139.49 36.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.581 1.952 . . . . 0.0 110.891 -169.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -131.46 19.49 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -11.91 58.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.704 -1.247 . . . . 0.0 113.889 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -88.49 -7.54 56.36 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 119.955 -1.716 . . . . 0.0 110.83 174.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.0 t -107.75 97.62 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 120.531 -1.356 . . . . 0.0 108.416 -158.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.99 -9.92 23.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -138.06 155.11 49.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.7 ttt -154.51 127.01 7.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.33 175.63 8.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.435 1.112 . . . . 0.0 108.151 167.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -32.97 4.15 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 127.86 2.464 . . . . 0.0 111.596 160.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.81 63.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.84 8.41 Favored Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 126.195 1.855 . . . . 0.0 113.241 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -48.47 70.39 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -174.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -19.51 23.71 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.301 1.905 . . . . 0.0 112.839 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -95.31 -5.5 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.806 1.303 . . . . 0.0 110.154 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.85 -43.9 3.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.913 1.285 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.92 -29.36 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.632 -0.668 . . . . 0.0 111.944 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.59 -37.28 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.054 -1.029 . . . . 0.0 110.744 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.72 -26.91 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.253 -0.905 . . . . 0.0 109.539 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.37 -32.4 68.54 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.902 -0.498 . . . . 0.0 110.375 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -71.14 -61.65 1.69 Allowed 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 117.082 -1.437 . . . . 0.0 109.625 168.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.95 -44.7 3.55 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.738 1.608 . . . . 0.0 114.043 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -61.0 2.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.25 1.82 . . . . 0.0 108.84 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.424 -1.274 . . . . 0.0 112.15 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.35 -43.36 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.89 1.223 . . . . 0.0 109.082 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 9.78 39.8 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.289 1.036 . . . . 0.0 112.22 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.34 17.55 78.93 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.186 1.374 . . . . 0.0 112.57 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -92.15 160.18 15.31 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -176.64 3.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 110.852 -174.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -159.08 126.17 4.76 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.259 -0.901 . . . . 0.0 110.284 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.0 mt -143.38 137.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.987 2.115 . . . . 0.0 105.619 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.85 153.49 18.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.29 172.77 12.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.87 35.56 12.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.618 1.567 . . . . 0.0 112.193 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.56 120.21 14.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.687 -0.633 . . . . 0.0 110.432 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -55.9 149.34 15.19 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.486 170.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.9 -33.17 74.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.465 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 m -62.45 -22.4 66.18 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.286 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mm -112.55 -34.53 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 125.227 1.411 . . . . 0.0 108.841 -171.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -56.81 -52.34 65.45 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -55.09 -38.58 68.3 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.88 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.61 -48.55 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.32 -45.32 91.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -60.69 -51.69 68.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 O-C-N 121.165 -0.959 . . . . 0.0 111.16 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.5 mt -46.44 -57.34 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.353 2.661 . . . . 0.0 110.039 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.272 36.2 m -78.33 13.96 1.37 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.3 m80 54.78 37.68 28.86 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 125.995 1.718 . . . . 0.0 111.715 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.01 -33.18 10.6 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.869 2.068 . . . . 0.0 109.804 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -40.28 94.29 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.681 0.673 . . . . 0.0 110.184 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -8.97 29.55 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.37 1.468 . . . . 0.0 114.354 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 pt -125.09 2.44 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.121 -174.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -118.19 -169.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 129.855 3.262 . . . . 0.0 107.589 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -131.4 137.92 48.88 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 168.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.15 142.64 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -174.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 p -144.45 -177.81 5.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 127.102 2.161 . . . . 0.0 108.577 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.66 -53.29 2.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 126.194 1.798 . . . . 0.0 108.669 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 p -114.96 143.18 45.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.78 -32.04 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -19.25 63.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.396 1.878 . . . . 0.0 113.386 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -9.53 49.95 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.08 1.352 . . . . 0.0 113.482 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 126.584 1.953 . . . . 0.0 112.749 -173.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.468 ' H ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.96 167.78 9.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.734 1.613 . . . . 0.0 108.102 175.245 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.16 -24.98 4.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.985 0.914 . . . . 0.0 111.761 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mt 41.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 130.851 3.66 . . . . 0.0 116.606 164.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.61 89.73 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 127.448 2.299 . . . . 0.0 108.627 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.93 112.86 1.63 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.288 -1.507 . . . . 0.0 107.976 171.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.04 -155.65 0.11 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.179 0.992 . . . . 0.0 108.553 172.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.87 -43.47 58.48 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.594 -1.317 . . . . 0.0 112.067 -175.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -130.2 -18.32 3.3 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.998 0.919 . . . . 0.0 111.76 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -105.49 150.47 25.29 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 121.208 -0.932 . . . . 0.0 110.204 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.8 106.98 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.4 mt -78.89 87.01 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.3 78.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -54.45 133.76 45.79 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 163.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.11 145.59 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 119.208 0.913 . . . . 0.0 108.584 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -130.82 138.59 49.95 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.167 0.987 . . . . 0.0 109.817 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.0 147.56 20.76 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.799 1.666 . . . . 0.0 111.018 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -53.78 155.5 3.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.468 1.907 . . . . 0.0 112.455 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.65 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.323 1.449 . . . . 0.0 109.524 -170.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -139.52 -164.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.49 1.116 . . . . 0.0 112.416 -173.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.8 -30.96 6.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.936 1.294 . . . . 0.0 113.198 172.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -64.59 -34.63 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.855 1.207 . . . . 0.0 109.547 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -13.77 19.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.494 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.2 t -43.73 -24.23 0.12 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.283 1.833 . . . . 0.0 115.134 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 p -121.68 -26.19 4.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.426 162.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.94 -65.38 0.69 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.479 1.036 . . . . 0.0 109.474 -171.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.93 -45.59 78.72 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 124.578 1.151 . . . . 0.0 109.803 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -51.84 -44.25 63.51 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.041 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 -47.37 71.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 110.389 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -56.21 -18.76 11.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 125.129 1.372 . . . . 0.0 112.278 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 mt -106.37 -48.57 3.53 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-O 115.012 -2.423 . . . . 0.0 111.297 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -57.22 -33.1 67.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 124.019 3.1 . . . . 0.0 110.834 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.4 -48.71 63.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.81 1.244 . . . . 0.0 109.054 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -71.5 -47.09 57.62 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.842 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -44.09 -40.62 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 120.348 1.431 . . . . 0.0 112.046 169.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.38 -42.75 98.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.724 0.693 . . . . 0.0 110.486 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -72.11 -49.13 38.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.834 0.853 . . . . 0.0 112.711 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -57.56 126.5 27.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 123.168 1.461 . . . . 0.0 112.847 -147.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -77.79 -7.59 56.81 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 126.101 1.76 . . . . 0.0 112.648 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -124.97 108.18 11.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -169.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.23 -25.25 66.01 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.127 0.876 . . . . 0.0 112.37 -163.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -86.47 87.28 7.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 118.833 0.742 . . . . 0.0 109.647 -166.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.2 mm -82.23 99.55 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -170.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.8 t -96.64 127.46 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.34 99.22 7.84 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.987 1.315 . . . . 0.0 109.157 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -73.81 130.03 39.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.408 1.083 . . . . 0.0 108.475 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.5 mt -121.5 14.96 11.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 118.509 0.595 . . . . 0.0 112.183 -174.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -44.09 -36.19 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.117 2.167 . . . . 0.0 113.669 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -101.6 16.37 25.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 119.434 1.016 . . . . 0.0 112.501 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.564 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 14.2 t -103.35 153.44 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 104.254 -2.498 . . . . 0.0 104.254 166.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.88 -20.09 0.09 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 120.199 1.363 . . . . 0.0 112.572 171.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.08 146.08 38.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.111 1.364 . . . . 0.0 107.526 166.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.7 ttt -150.55 156.41 41.35 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.089 1.756 . . . . 0.0 107.142 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -150.83 -168.57 3.14 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.659 1.984 . . . . 0.0 108.812 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -22.81 66.92 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.67 -41.99 43.44 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.55 -59.92 6.8 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 123.821 0.724 . . . . 0.0 113.612 166.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -45.35 94.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.329 0.652 . . . . 0.0 109.326 -171.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.5 -14.18 48.11 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.502 1.525 . . . . 0.0 112.983 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.4 m -103.5 -4.03 24.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.196 1.799 . . . . 0.0 110.779 -174.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.73 -42.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.777 1.231 . . . . 0.0 109.189 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.84 -29.01 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.579 1.151 . . . . 0.0 110.806 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.65 -40.71 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.79 1.636 . . . . 0.0 111.484 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.6 -32.23 48.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.096 -165.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.5 -40.23 78.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.521 1.509 . . . . 0.0 110.593 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -65.47 -67.91 0.4 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.06 -41.8 2.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.463 2.305 . . . . 0.0 112.811 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -61.4 2.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.369 2.267 . . . . 0.0 111.181 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -36.93 63.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.209 1.368 . . . . 0.0 111.616 176.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.38 -31.85 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.964 1.705 . . . . 0.0 109.509 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.09 6.82 43.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.79 40.16 64.93 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.73 1.157 . . . . 0.0 112.682 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -118.36 166.85 12.14 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.035 1.334 . . . . 0.0 109.879 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -98.1 -172.65 2.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.639 1.575 . . . . 0.0 111.399 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -167.91 118.81 0.83 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.13 152.57 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 127.124 2.17 . . . . 0.0 106.871 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.3 mt -117.77 139.51 50.96 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 119.727 1.149 . . . . 0.0 108.286 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.66 172.48 12.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.712 0.805 . . . . 0.0 111.577 172.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t 49.81 40.8 21.25 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 126.614 1.966 . . . . 0.0 110.689 -171.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.6 mt -74.35 162.83 28.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.59 -1.319 . . . . 0.0 109.709 169.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.564 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 18.8 mtmm -133.05 156.29 47.65 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -164.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.19 -23.81 67.6 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.49 0.494 . . . . 0.0 110.107 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 -21.54 60.95 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.9 mm -122.23 -34.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 C-N-CA 124.614 1.166 . . . . 0.0 109.992 -168.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -60.62 -44.31 96.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -55.87 -38.71 70.51 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 170.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.95 -47.6 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -34.29 78.08 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.23 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -64.58 -51.13 64.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 120.398 1.454 . . . . 0.0 111.1 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.62 -52.45 17.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.029 2.532 . . . . 0.0 110.337 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -88.53 13.05 12.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.935 0.894 . . . . 0.0 112.677 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 49.95 34.88 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.142 1.777 . . . . 0.0 112.333 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.461 HD23 ' CZ ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -77.23 -37.22 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.26 168.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.94 -30.52 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.717 -0.614 . . . . 0.0 111.492 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -74.23 -5.18 40.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 114.139 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.5 pt -135.34 8.29 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.427 1.491 . . . . 0.0 111.34 -172.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.461 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -124.54 -168.63 1.84 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 129.789 3.236 . . . . 0.0 107.444 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -132.8 145.12 50.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 121.61 -0.682 . . . . 0.0 109.818 160.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.77 128.45 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 p -126.19 178.69 5.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.825 2.45 . . . . 0.0 108.688 170.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.78 -76.5 0.57 Allowed 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 102.11 -3.293 . . . . 0.0 102.11 -171.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 p -94.37 143.99 25.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 t -57.51 -26.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 124.486 1.115 . . . . 0.0 110.542 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.46 -39.96 89.47 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.576 -0.702 . . . . 0.0 112.716 169.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 -15.59 59.3 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.276 1.43 . . . . 0.0 113.072 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 126.183 1.793 . . . . 0.0 108.845 173.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt . . . . . 0 CA--C 1.506 -0.715 0 CA-C-O 121.058 0.456 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -175.26 4.12 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 167.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 -45.37 2.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.932 -1.105 . . . . 0.0 111.21 167.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt 63.15 126.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 130.273 3.429 . . . . 0.0 113.041 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -135.54 91.37 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 127.694 2.398 . . . . 0.0 105.709 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.8 109.83 3.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.332 -1.48 . . . . 0.0 108.161 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -153.95 0.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.628 1.171 . . . . 0.0 109.482 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -82.89 -34.82 26.59 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 111.873 -168.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -144.95 7.29 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.681 0.792 . . . . 0.0 111.052 170.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 46' ' ' LYS . 14.1 ptmt -132.61 146.38 51.85 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.4 -1.437 . . . . 0.0 109.654 -173.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 110.9 22.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.873 0.76 . . . . 0.0 108.981 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.2 mt -81.7 84.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.65 88.38 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 O-C-N 119.93 -1.731 . . . . 0.0 107.241 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -71.31 133.16 45.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.2 t -104.64 144.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -131.78 128.63 39.21 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 108.695 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 146.54 12.57 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -71.94 156.35 39.36 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 126.356 1.862 . . . . 0.0 112.063 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 tt -117.05 120.55 65.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.718 0.77 . . . . 0.0 111.126 -151.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -147.78 -175.46 4.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.908 1.283 . . . . 0.0 110.966 -164.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 -2.99 4.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.358 1.863 . . . . 0.0 115.024 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -95.96 -36.82 10.92 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 109.082 167.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -76.46 -15.58 59.87 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.475 1.11 . . . . 0.0 109.155 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 89.0 p -63.05 -9.58 10.86 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -120.38 -25.96 5.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.696 167.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -73.74 0.12 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 120.226 1.375 . . . . 0.0 109.204 175.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.77 -33.23 64.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 121.883 2.129 . . . . 0.0 111.969 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 28' ' ' SER . 32.6 ttmt -57.62 -56.16 25.47 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.306 172.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.76 -44.19 90.86 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -64.39 -30.81 71.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.153 0.981 . . . . 0.0 108.698 -170.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.82 -42.63 13.11 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 114.659 -2.591 . . . . 0.0 112.362 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -56.39 -36.93 69.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 123.926 3.057 . . . . 0.0 110.259 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.43 -41.62 55.46 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -70.24 -43.33 70.81 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.601 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.51 -24.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 119.667 1.122 . . . . 0.0 112.732 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -41.15 27.46 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.231 1.378 . . . . 0.0 109.827 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -54.29 -51.32 64.98 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.266 0.939 . . . . 0.0 110.519 166.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -53.72 108.96 0.4 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.348 1.459 . . . . 0.0 110.676 -155.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 m -64.23 -49.17 72.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 162.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.05 110.78 22.15 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.198 0.599 . . . . 0.0 110.372 -157.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -71.94 -26.51 62.31 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -153.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 14' ' ' LYS . 42.3 tttt -78.45 92.44 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.833 -172.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -85.4 98.81 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -169.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -95.43 129.15 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 125.772 1.629 . . . . 0.0 108.862 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.87 100.52 7.83 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.1 0.96 . . . . 0.0 111.257 -172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -81.81 113.83 20.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.318 1.847 . . . . 0.0 110.398 -174.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.75 23.49 10.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.673 1.579 . . . . 0.0 113.709 -176.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 p -60.25 -30.69 69.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.981 0.809 . . . . 0.0 111.134 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.72 -3.4 58.55 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.55 1.54 . . . . 0.0 112.449 -176.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 t -109.67 85.33 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -162.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 m -80.8 -12.31 59.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.92 1.688 . . . . 0.0 114.646 -166.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -138.55 164.01 30.55 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.751 2.42 . . . . 0.0 107.183 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ttt -158.59 121.24 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.75 172.2 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -56.88 -18.95 15.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.349 1.06 . . . . 0.0 112.198 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.1 70.75 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.59 0.756 . . . . 0.0 110.28 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.29 -49.73 55.27 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.071 0.843 . . . . 0.0 111.915 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -46.12 76.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 O-C-N 121.544 -0.974 . . . . 0.0 109.513 -171.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.3 -14.6 34.31 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.099 -0.834 . . . . 0.0 113.792 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.4 m -95.27 -22.31 17.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.887 1.275 . . . . 0.0 110.225 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.86 -41.83 9.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 119.157 0.89 . . . . 0.0 110.607 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.04 -32.77 55.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.553 0.741 . . . . 0.0 111.366 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.76 -33.92 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.093 0.957 . . . . 0.0 111.839 174.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.3 mm -68.99 -21.5 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.505 0.722 . . . . 0.0 110.499 -176.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -48.94 -53.12 21.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.632 1.106 . . . . 0.0 108.812 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -72.56 -42.56 64.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 116.574 -1.679 . . . . 0.0 111.18 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.78 -35.56 74.9 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 121.959 2.163 . . . . 0.0 111.371 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.87 72.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.071 1.349 . . . . 0.0 108.725 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -51.42 -37.53 48.96 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.035 0.934 . . . . 0.0 111.538 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.5 mm -57.65 -41.47 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 118.35 -0.833 . . . . 0.0 109.944 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -93.88 9.72 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.966 1.257 . . . . 0.0 112.695 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.3 43.99 98.65 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.709 1.623 . . . . 0.0 111.835 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -112.86 166.57 11.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.577 1.151 . . . . 0.0 110.567 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -172.8 2.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.394 1.478 . . . . 0.0 110.533 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -168.58 125.25 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.142 1.377 . . . . 0.0 108.43 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.5 mt -144.72 153.6 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 127.236 2.214 . . . . 0.0 106.045 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.31 153.29 31.23 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 p -143.7 165.69 26.95 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.246 1.018 . . . . 0.0 112.806 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.11 34.48 4.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.878 2.071 . . . . 0.0 113.143 173.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.84 130.74 43.66 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.079 -1.013 . . . . 0.0 109.395 -174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -63.04 149.09 45.9 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.822 0.82 . . . . 0.0 109.458 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -71.87 -21.59 61.64 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.679 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 t -70.93 -14.38 62.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.136 1.774 . . . . 0.0 112.377 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.75 -38.39 2.06 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.078 0 C-N-CA 126.151 1.781 . . . . 0.0 107.788 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -60.33 -43.84 96.03 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -55.4 -40.23 71.15 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.824 -1.172 . . . . 0.0 112.41 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.07 -50.33 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 -171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.4 -46.34 86.58 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -59.44 -49.06 79.27 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 120.899 -1.125 . . . . 0.0 111.568 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.55 -56.26 23.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.767 2.427 . . . . 0.0 109.879 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -77.01 10.35 2.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.68 0.792 . . . . 0.0 112.286 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 65.55 16.41 10.5 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 127.406 2.282 . . . . 0.0 113.566 174.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.26 -31.67 64.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.706 2.002 . . . . 0.0 110.918 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -36.69 71.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.948 1.249 . . . . 0.0 110.491 -175.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -3.48 4.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.4 pt -131.99 4.86 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.962 1.705 . . . . 0.0 111.501 -172.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.69 -173.5 2.8 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 127.589 2.356 . . . . 0.0 107.868 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -122.37 140.22 52.93 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 123.646 0.778 . . . . 0.0 111.263 161.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.54 145.85 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.3 p -135.95 -167.51 2.05 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.939 1.295 . . . . 0.0 110.377 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -117.88 -45.54 2.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 127.643 2.377 . . . . 0.0 107.348 -168.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -119.63 148.12 43.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.933 1.293 . . . . 0.0 108.872 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.1 t -56.68 -27.81 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.855 1.262 . . . . 0.0 110.175 173.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -55.99 -49.0 74.82 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.439 1.096 . . . . 0.0 110.456 173.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -20.89 63.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.798 1.239 . . . . 0.0 111.816 -173.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 CA-C-O 116.813 -1.565 . . . . 0.0 109.494 -177.447 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mttt . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -121.86 164.61 17.23 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 127.062 2.145 . . . . 0.0 109.416 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.23 -53.63 2.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.243 1.017 . . . . 0.0 109.826 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.3 mt 67.98 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 131.595 3.958 . . . . 0.0 114.518 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.3 t -143.39 100.08 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.138 2.175 . . . . 0.0 108.217 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.06 101.53 2.24 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.831 -1.168 . . . . 0.0 108.958 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -79.77 -157.85 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.034 1.334 . . . . 0.0 108.543 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.75 -51.02 60.68 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.666 -1.272 . . . . 0.0 110.882 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -138.13 -3.37 1.78 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.97 143.94 39.22 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 120.535 -1.353 . . . . 0.0 107.41 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.97 108.26 20.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 169.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.61 98.45 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.19 84.49 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.719 1.247 . . . . 0.0 107.713 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -70.31 127.58 33.25 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.6 t -90.23 162.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 174.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.21 162.09 28.64 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.3 1.84 . . . . 0.0 109.748 163.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.59 152.2 10.75 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 124.538 1.066 . . . . 0.0 112.048 170.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -53.76 124.98 16.79 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.558 1.143 . . . . 0.0 109.51 159.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.427 ' CG1' HD22 ' A' ' 27' ' ' ASN . 0.6 OUTLIER -75.71 112.95 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.263 1.425 . . . . 0.0 108.266 -176.153 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -138.95 176.3 8.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.33 1.062 . . . . 0.0 112.702 -167.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -21.56 34.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.758 1.223 . . . . 0.0 112.706 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -35.88 63.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.402 1.081 . . . . 0.0 108.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.427 HD22 ' CG1' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -84.49 -12.59 53.97 Favored 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 121.732 -0.605 . . . . 0.0 111.137 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -60.74 -6.69 1.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.363 1.039 . . . . 0.0 112.763 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -33.1 4.08 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 120.725 -1.234 . . . . 0.0 112.325 159.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.02 -60.53 3.49 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.521 0.6 . . . . 0.0 110.477 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -54.9 -49.36 71.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 126.298 1.839 . . . . 0.0 111.518 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -51.57 -39.85 58.63 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.94 -53.14 12.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.843 1.257 . . . . 0.0 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.42 0.86 0.25 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 127.331 2.253 . . . . 0.0 112.644 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.0 -47.47 2.39 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 115.001 -2.428 . . . . 0.0 113.451 168.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -60.02 -41.0 91.25 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 124.568 3.349 . . . . 0.0 111.021 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -73.96 -39.86 63.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -64.65 -49.61 70.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.047 1.339 . . . . 0.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.34 -32.34 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.428 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -62.64 -55.87 23.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -44.91 93.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.122 0.569 . . . . 0.0 111.814 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -57.07 123.99 17.17 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.139 0.427 . . . . 0.0 110.173 -151.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -71.64 -20.92 61.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.921 -0.487 . . . . 0.0 110.466 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -107.37 137.92 44.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 119.257 0.935 . . . . 0.0 110.072 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.35 -34.76 36.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.711 -1.131 . . . . 0.0 113.205 -165.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -87.04 94.82 9.73 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.287 0.494 . . . . 0.0 110.425 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -81.98 102.9 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.57 114.76 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.02 126.9 36.24 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 117.099 -1.429 . . . . 0.0 109.124 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HA ' ' OG ' ' A' ' 82' ' ' SER . 31.0 t0 -100.85 120.08 39.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 129.86 3.264 . . . . 0.0 110.117 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.41 19.72 16.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.243 1.017 . . . . 0.0 112.808 -172.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -53.67 -38.37 64.09 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.41 0.684 . . . . 0.0 112.384 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -85.4 0.91 50.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.684 1.594 . . . . 0.0 112.791 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.2 t -98.34 96.82 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 119.562 1.074 . . . . 0.0 108.729 -168.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -78.48 -34.88 47.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.043 1.337 . . . . 0.0 113.672 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -136.21 158.71 43.76 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.458 1.503 . . . . 0.0 108.21 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.3 ttt -142.35 122.87 14.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.948 1.299 . . . . 0.0 110.012 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.77 170.44 15.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.483 0.659 . . . . 0.0 110.494 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.8 p -51.7 -29.46 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.647 1.579 . . . . 0.0 112.308 166.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.58 78.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.64 -54.08 40.09 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.425 2.441 . . . . 0.0 111.122 -173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.21 -38.56 60.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.54 -16.79 59.11 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.046 -0.863 . . . . 0.0 112.827 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -90.22 -50.09 6.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.9 -33.05 71.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.002 -1.061 . . . . 0.0 112.251 -171.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.9 -26.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.131 -0.981 . . . . 0.0 111.679 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.89 -39.36 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.368 1.067 . . . . 0.0 108.476 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.31 -37.77 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 123.288 0.635 . . . . 0.0 110.453 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.83 -44.39 63.55 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.385 0.538 . . . . 0.0 110.241 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -67.49 -63.52 1.04 Allowed 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.433 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.56 -45.86 1.66 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.416 1.886 . . . . 0.0 112.202 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.26 -64.09 0.98 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.976 0.91 . . . . 0.0 109.213 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.22 -37.61 64.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.729 1.212 . . . . 0.0 113.19 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.76 -41.37 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 125.981 1.713 . . . . 0.0 108.545 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -6.97 57.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.635 1.174 . . . . 0.0 112.022 177.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.3 22.73 43.2 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.832 1.682 . . . . 0.0 114.699 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -108.3 164.42 12.33 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.19 1.495 . . . . 0.0 110.933 -175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -91.59 175.1 7.03 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 110.699 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -158.63 128.17 5.71 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.125 -0.984 . . . . 0.0 110.608 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.9 mt -146.5 153.65 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.833 2.453 . . . . 0.0 106.815 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.04 143.48 45.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.08 2.152 . . . . 0.0 107.423 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 90.1 p -129.36 158.81 38.1 Favored 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.714 2.006 . . . . 0.0 110.058 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m 55.89 22.84 5.99 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.221 1.564 . . . . 0.0 115.221 168.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mt -58.41 129.14 40.62 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 125.692 1.597 . . . . 0.0 109.68 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -64.26 161.8 15.92 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.665 0.745 . . . . 0.0 109.705 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.29 -37.65 88.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.83 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -12.41 61.15 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.762 -173.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -104.99 -39.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -63.12 -45.53 91.56 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -57.22 -37.12 71.76 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.284 -0.885 . . . . 0.0 111.873 173.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -50.8 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 -176.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.19 -52.44 64.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.05 -46.13 71.85 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.953 0.901 . . . . 0.0 111.311 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -54.15 -56.83 14.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.276 1.03 . . . . 0.0 108.736 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 p -68.96 9.59 0.38 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 57.12 19.29 4.67 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 112.366 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.18 -29.24 61.67 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.132 1.373 . . . . 0.0 110.168 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -31.18 71.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.498 1.045 . . . . 0.0 111.367 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -72.95 0.22 11.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.785 -1.102 . . . . 0.0 113.402 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.6 pt -136.45 -5.58 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 119.788 1.177 . . . . 0.0 112.163 -172.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -114.28 -170.65 1.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.706 2.402 . . . . 0.0 108.665 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -136.09 128.27 29.88 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 121.369 -0.832 . . . . 0.0 108.8 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.5 117.43 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -169.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . 0.25 1.5 p -128.82 174.78 9.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 124.832 1.253 . . . . 0.0 108.431 171.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.18 -63.82 1.13 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -164.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 50.9 p -93.42 137.86 32.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.67 -28.15 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.906 0.883 . . . . 0.0 110.072 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.2 -51.47 67.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.493 1.517 . . . . 0.0 113.348 169.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.99 -16.86 64.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.813 1.188 . . . . 0.0 111.996 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.081 0.952 . . . . 0.0 109.794 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 mttt . . . . . 0 CA--C 1.502 -0.887 0 CA-C-O 121.492 0.663 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.29 167.8 17.29 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.403 164.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.2 -45.75 2.93 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.163 0.915 . . . . 0.0 111.619 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.3 mt 64.24 129.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 131.302 3.841 . . . . 0.0 114.299 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.85 91.89 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 128.03 2.532 . . . . 0.0 105.694 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.21 102.35 1.67 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -160.24 0.22 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.8 -48.99 67.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 120.87 -1.144 . . . . 0.0 109.594 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -143.53 8.8 1.57 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -114.44 149.85 35.63 Favored 'General case' 0 C--N 1.34 0.177 0 O-C-N 120.101 -1.624 . . . . 0.0 108.21 165.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.81 107.43 18.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.48 91.98 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.9 t -84.72 86.27 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 120.147 -1.596 . . . . 0.0 107.575 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -66.02 127.56 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 167.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 t -99.37 145.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -129.25 150.36 50.66 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.23 0.612 . . . . 0.0 109.494 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.25 164.77 33.59 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.15 145.38 37.75 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.604 1.162 . . . . 0.0 107.916 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 tp -91.73 77.55 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 122.833 1.301 . . . . 0.0 108.55 -172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -109.46 -177.27 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.939 1.296 . . . . 0.0 112.981 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.2 -9.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.115 2.166 . . . . 0.0 114.804 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -86.01 -32.97 21.19 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 120.693 1.588 . . . . 0.0 109.068 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -19.38 59.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -44.68 -27.5 0.5 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 125.576 1.798 . . . . 0.0 113.018 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 p -120.87 -31.72 4.14 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.793 162.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.62 -67.19 0.38 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.373 0.988 . . . . 0.0 110.651 -169.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.74 -46.33 74.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.785 1.634 . . . . 0.0 109.307 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -48.59 60.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.995 0.809 . . . . 0.0 109.346 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.94 -50.77 72.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.251 1.42 . . . . 0.0 111.215 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.02 -11.17 7.35 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.855 0.862 . . . . 0.0 112.999 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.3 mt -114.14 -40.63 3.66 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.165 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -55.72 -44.63 77.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 124.162 3.165 . . . . 0.0 109.42 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -74.03 -36.22 64.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -174.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -73.33 -48.14 36.78 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.264 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.2 mt -56.34 -32.64 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 120.656 1.571 . . . . 0.0 112.212 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -74.36 -14.21 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 111.921 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.2 m -97.07 -47.15 5.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.413 1.885 . . . . 0.0 110.957 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 t -63.38 142.01 58.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.586 1.184 . . . . 0.0 112.382 -147.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.03 -3.45 58.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 127.02 2.128 . . . . 0.0 112.58 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -117.81 145.31 44.64 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.924 1.238 . . . . 0.0 109.522 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -86.24 -36.58 19.32 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.968 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.03 93.44 2.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 121.546 1.976 . . . . 0.0 111.435 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -81.47 103.41 8.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 122.053 2.206 . . . . 0.0 105.445 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 t -101.02 133.67 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.063 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -105.66 146.87 29.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -125.76 115.23 19.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.177 1.391 . . . . 0.0 110.157 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.41 20.89 15.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.398 1.079 . . . . 0.0 111.731 -163.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.32 62.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.358 1.063 . . . . 0.0 113.063 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -84.03 -12.11 55.69 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.095 0.958 . . . . 0.0 112.753 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.21 105.0 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 -19.65 19.8 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 112.32 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -137.63 150.27 47.26 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.808 1.643 . . . . 0.0 109.466 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.7 ttt -139.78 140.61 36.72 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 126.359 1.864 . . . . 0.0 108.399 172.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 59' ' ' SER . 31.5 t70 -117.43 -179.83 3.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.516 1.127 . . . . 0.0 109.132 168.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.48 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 51.1 m -71.53 -12.13 61.22 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.356 1.862 . . . . 0.0 113.661 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -52.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -24.47 -66.57 0.04 OUTLIER Glycine 0 C--O 1.225 -0.448 0 C-N-CA 130.282 3.801 . . . . 0.0 112.812 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.502 ' H ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.49 -39.82 73.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.185 0.994 . . . . 0.0 111.648 -171.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.27 -13.83 63.09 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.8 1.19 . . . . 0.0 113.085 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -101.82 -7.75 22.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.341 1.456 . . . . 0.0 108.835 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -107.74 -42.86 4.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.418 1.087 . . . . 0.0 111.095 173.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.36 -34.04 49.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 120.246 1.385 . . . . 0.0 110.77 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.61 -35.19 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.775 0.83 . . . . 0.0 110.636 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.07 -23.86 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.532 1.133 . . . . 0.0 110.698 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.0 -49.35 77.13 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.671 1.578 . . . . 0.0 108.25 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -58.26 -64.09 1.04 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 117.306 -1.331 . . . . 0.0 108.496 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -38.69 28.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.834 1.197 . . . . 0.0 113.436 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -55.37 20.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.692 1.197 . . . . 0.0 110.422 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -35.73 54.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.95 1.3 . . . . 0.0 111.603 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.28 -56.31 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 119.781 1.173 . . . . 0.0 107.983 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.64 5.92 29.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.69 0.757 . . . . 0.0 111.631 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.69 45.71 92.02 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 125.872 1.701 . . . . 0.0 111.603 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -101.3 156.53 17.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.836 0.854 . . . . 0.0 109.353 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -83.42 176.31 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.788 0.804 . . . . 0.0 109.017 163.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -150.69 129.74 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 127.615 2.366 . . . . 0.0 105.86 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.3 mt -146.94 150.3 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.8 mt -120.35 124.23 45.03 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.784 1.234 . . . . 0.0 109.388 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 161.09 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.191 0.996 . . . . 0.0 111.179 -177.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t 53.9 29.75 10.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.765 1.626 . . . . 0.0 114.132 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.3 122.53 16.4 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 120.159 -1.588 . . . . 0.0 109.153 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -61.28 157.24 16.84 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-O 121.702 0.763 . . . . 0.0 109.444 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.61 -35.09 75.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.391 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m -71.34 -10.58 60.0 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.5 mm -115.57 -41.42 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.71 99.86 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.919 -0.488 . . . . 0.0 109.738 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.66 -37.62 73.71 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.149 -0.969 . . . . 0.0 111.953 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.06 -47.03 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.26 -49.82 76.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -59.23 -43.6 92.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 120.179 -1.575 . . . . 0.0 112.099 -178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.52 -60.66 3.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.847 1.659 . . . . 0.0 108.309 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.97 18.82 0.08 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 114.144 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.25 38.82 5.44 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.231 2.212 . . . . 0.0 113.114 -175.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -100.49 -24.21 14.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.089 2.156 . . . . 0.0 109.906 -174.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.0 -49.55 67.37 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.248 0.931 . . . . 0.0 109.608 177.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.49 3.31 0.21 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 128.49 2.716 . . . . 0.0 116.566 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.4 pt -140.24 8.22 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 C-N-CA 125.227 1.411 . . . . 0.0 110.546 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.0 m-85 -132.38 -169.88 2.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.783 3.633 . . . . 0.0 109.451 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -127.94 134.82 49.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 124.67 1.188 . . . . 0.0 110.169 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.04 130.3 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 125.533 1.771 . . . . 0.0 109.085 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -137.01 -179.59 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.033 1.733 . . . . 0.0 110.543 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 -49.23 6.0 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 120.921 -1.112 . . . . 0.0 109.366 -169.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 p -123.82 159.27 29.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.84 -19.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.552 -0.717 . . . . 0.0 111.272 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.59 -48.02 70.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.025 0.93 . . . . 0.0 110.621 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.92 -18.1 64.06 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.198 0.999 . . . . 0.0 111.917 -171.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.16 1.784 . . . . 0.0 110.323 -178.073 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.518 ' H ' HD21 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.11 152.64 29.36 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.299 1.44 . . . . 0.0 108.169 176.317 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -47.31 3.87 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.087 0.867 . . . . 0.0 110.478 -164.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.6 mt 68.44 125.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 128.764 2.826 . . . . 0.0 113.539 166.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.4 t -147.21 79.11 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 128.531 2.733 . . . . 0.0 106.844 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 74.4 mt-10 -64.89 120.84 13.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.022 -1.674 . . . . 0.0 109.704 170.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -95.22 -145.58 0.27 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.706 2.003 . . . . 0.0 109.627 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -73.88 0.09 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.699 1.2 . . . . 0.0 110.351 168.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -16.45 13.71 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.704 1.202 . . . . 0.0 111.347 -168.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -112.87 126.96 56.02 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.399 1.48 . . . . 0.0 108.12 -168.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . . . -80.46 98.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 166.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -74.16 122.2 26.91 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.75 95.22 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 123.654 1.692 . . . . 0.0 109.148 168.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.2 mtt-85 -59.94 119.82 8.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.908 162.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.44 147.07 6.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.406 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 8.8 mt-30 -126.07 155.53 41.41 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.688 1.195 . . . . 0.0 110.738 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.58 161.97 28.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.585 1.564 . . . . 0.0 110.951 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -71.52 153.56 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.894 1.277 . . . . 0.0 108.743 171.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.73 93.73 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 125.34 1.456 . . . . 0.0 111.414 -158.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -144.29 -166.81 2.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.502 1.121 . . . . 0.0 112.763 -171.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.99 -22.3 0.31 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.756 1.622 . . . . 0.0 114.759 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.4 -38.13 63.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.932 1.242 . . . . 0.0 109.011 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -12.36 35.07 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 121.938 -0.476 . . . . 0.0 110.038 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 t -57.34 -12.8 2.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.6 p -113.48 -38.25 4.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.27 156.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.98 -69.99 0.12 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.978 0.911 . . . . 0.0 110.537 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.34 -47.0 62.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.035 0.934 . . . . 0.0 110.107 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -49.65 -50.11 44.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.736 0.414 . . . . 0.0 110.846 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.64 -48.86 65.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.216 1.806 . . . . 0.0 111.171 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -64.74 -4.3 4.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 127.22 2.208 . . . . 0.0 112.996 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.9 -42.75 3.18 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.407 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -69.95 -40.89 75.19 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 121.396 1.907 . . . . 0.0 110.712 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -67.65 -38.36 83.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.08 -37.3 72.43 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.034 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -33.12 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 120.158 1.344 . . . . 0.0 112.985 175.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -59.9 -49.95 75.67 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 m -71.17 -40.05 71.52 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 123.76 0.824 . . . . 0.0 113.109 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -59.14 136.31 57.91 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -156.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t -83.96 -9.79 58.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.76 2.424 . . . . 0.0 112.656 -174.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -120.88 166.74 13.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -172.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -100.08 -41.72 7.03 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.636 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.258 13.1 ttpt -79.79 96.89 6.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.947 1.249 . . . . 0.0 110.294 -169.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -88.83 104.76 15.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.74 99.59 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 125.654 1.581 . . . . 0.0 109.701 -162.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 111.09 22.42 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 123.988 0.915 . . . . 0.0 111.885 -170.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 18.0 t70 -91.44 138.69 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.808 2.043 . . . . 0.0 112.797 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -123.33 20.19 9.7 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -24.09 61.33 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.695 -1.253 . . . . 0.0 112.292 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 58.6 m -72.9 -44.41 61.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.398 -1.439 . . . . 0.0 112.009 170.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -82.18 120.75 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -154.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.1 m -125.19 -10.42 7.03 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -130.72 150.95 51.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.373 1.469 . . . . 0.0 107.934 163.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ttt -142.59 130.62 21.86 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.306 1.842 . . . . 0.0 106.789 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -101.28 170.05 8.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 163.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -61.19 -8.97 4.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.947 -1.095 . . . . 0.0 112.847 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.68 77.04 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.424 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -55.19 -54.82 31.61 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 125.715 1.626 . . . . 0.0 112.08 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -38.45 69.37 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.209 -2.348 . . . . 0.0 109.371 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.97 -6.31 12.15 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.505 1.526 . . . . 0.0 113.418 170.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 61.3 m -86.9 -65.45 1.01 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 167.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.39 -42.04 98.09 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 118.511 0.596 . . . . 0.0 111.438 -164.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -52.62 -29.01 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -39.62 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-O 121.661 0.743 . . . . 0.0 111.197 175.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.9 -27.59 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 125.608 1.563 . . . . 0.0 109.687 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.56 -47.75 63.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.082 0.953 . . . . 0.0 109.481 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.51 -60.58 3.58 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 117.211 -1.376 . . . . 0.0 110.417 168.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -49.08 -39.08 26.44 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.737 1.153 . . . . 0.0 111.947 -171.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.75 -60.01 4.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 126.987 2.115 . . . . 0.0 109.898 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -41.54 26.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.5 1.12 . . . . 0.0 111.854 174.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mt -60.94 -39.56 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.868 1.213 . . . . 0.0 110.338 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.56 15.94 24.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.903 0.774 . . . . 0.0 112.163 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.6 81.38 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.935 1.731 . . . . 0.0 112.953 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -98.53 163.03 12.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.162 0.981 . . . . 0.0 110.196 -175.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 178.13 6.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.923 1.689 . . . . 0.0 109.312 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -160.09 125.3 3.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.544 1.137 . . . . 0.0 110.294 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.7 mt -140.3 149.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.83 149.46 25.03 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 120.145 1.339 . . . . 0.0 109.165 157.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.67 169.52 17.5 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.592 0.757 . . . . 0.0 111.584 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m 52.7 30.18 8.44 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.33 160.36 16.12 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.211 -0.931 . . . . 0.0 108.76 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -109.42 158.24 18.14 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 123.507 0.723 . . . . 0.0 110.297 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -15.89 63.86 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.351 0.596 . . . . 0.0 112.206 -175.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -85.45 -10.44 56.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.539 1.135 . . . . 0.0 112.689 173.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.2 mm -121.74 -37.43 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.85 1.66 . . . . 0.0 109.177 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -55.28 -50.19 70.18 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 122.823 1.297 . . . . 0.0 108.978 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -54.07 -38.23 65.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.765 1.626 . . . . 0.0 111.576 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.17 -50.3 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 -171.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.87 -48.18 70.3 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.79 -48.34 82.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.894 -1.129 . . . . 0.0 110.956 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -51.98 -44.97 64.29 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.794 2.038 . . . . 0.0 110.035 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -87.35 5.74 37.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.8 27.85 14.67 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 127.37 2.268 . . . . 0.0 113.986 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -84.51 -38.46 20.04 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.605 1.562 . . . . 0.0 110.719 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.86 65.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.999 -1.063 . . . . 0.0 111.664 -171.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -74.52 -20.01 60.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.43 1.092 . . . . 0.0 112.723 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.5 pt -118.44 -37.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 119.83 1.195 . . . . 0.0 110.401 -166.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -72.0 -174.96 1.33 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.572 1.549 . . . . 0.0 110.114 163.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.42 153.35 35.36 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.33 134.29 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 165.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.1 p -124.65 -172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.721 1.609 . . . . 0.0 107.375 156.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.05 -33.07 5.18 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 124.233 1.013 . . . . 0.0 110.549 -164.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -128.18 144.95 51.16 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.36 -21.66 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.397 167.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -49.8 76.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.089 2.156 . . . . 0.0 112.155 169.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.7 -27.02 63.68 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.396 1.453 . . . . 0.0 112.2 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.551 1.541 . . . . 0.0 110.959 -172.528 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 122.187 0.994 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.8 mt -120.19 165.08 15.27 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 127.736 2.414 . . . . 0.0 109.144 168.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -45.92 2.51 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.774 1.23 . . . . 0.0 112.637 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt 57.98 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 130.44 3.496 . . . . 0.0 115.196 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.34 86.95 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 127.143 2.177 . . . . 0.0 108.641 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.35 120.07 13.24 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.054 -1.654 . . . . 0.0 108.159 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -145.55 0.13 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.819 1.247 . . . . 0.0 109.767 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -67.29 -61.99 1.64 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.661 1.584 . . . . 0.0 110.095 166.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.68 -7.79 1.9 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.28 1.432 . . . . 0.0 111.438 -167.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.43 140.45 44.65 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.886 1.674 . . . . 0.0 107.119 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.25 105.43 15.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.64 126.34 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.16 86.3 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.764 1.226 . . . . 0.0 109.126 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -78.53 123.98 27.66 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.05 151.6 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.177 0.991 . . . . 0.0 110.298 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -127.17 134.73 50.12 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.902 166.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.31 159.39 25.12 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.77 149.01 32.25 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.593 0.711 . . . . 0.0 109.832 156.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.4 tt -104.06 140.23 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.413 2.285 . . . . 0.0 106.996 -174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -175.72 -175.89 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 120.775 -1.203 . . . . 0.0 112.443 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.82 58.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.888 -1.054 . . . . 0.0 111.916 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.47 -28.11 69.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.249 1.386 . . . . 0.0 112.185 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -117.73 -0.41 11.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 112.28 -174.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.2 p -51.46 -10.48 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 161.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -120.85 -32.94 3.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 115.913 -1.994 . . . . 0.0 113.932 151.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -68.33 0.19 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 119.853 1.206 . . . . 0.0 110.668 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.47 -40.42 78.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.235 1.414 . . . . 0.0 111.621 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -59.1 -47.32 85.69 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 123.127 0.571 . . . . 0.0 109.839 -176.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.48 -43.71 63.28 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.401 0.68 . . . . 0.0 109.56 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.08 -11.59 9.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.042 0.937 . . . . 0.0 111.594 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.6 mt -105.67 -50.62 3.16 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 115.638 -2.125 . . . . 0.0 110.436 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -64.89 -33.96 77.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 123.91 3.05 . . . . 0.0 111.551 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.86 -46.2 75.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.2 -49.8 66.07 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.749 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 mt -50.95 -28.02 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 125.14 1.376 . . . . 0.0 112.312 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -48.09 25.46 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.902 0.773 . . . . 0.0 110.241 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -55.05 -46.64 75.37 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.64 1.176 . . . . 0.0 111.564 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 115.47 3.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 122.649 1.214 . . . . 0.0 111.646 -152.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -14.7 62.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.338 2.255 . . . . 0.0 113.95 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -98.11 169.4 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.069 1.748 . . . . 0.0 109.338 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -115.06 -31.74 5.95 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -79.86 94.99 5.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.411 1.46 . . . . 0.0 109.287 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.8 mm -89.34 102.74 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.06 125.14 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.94 143.75 26.4 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-O 117.098 -1.429 . . . . 0.0 107.705 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -113.05 122.89 48.95 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 130.714 3.606 . . . . 0.0 107.869 171.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -118.21 23.76 11.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.657 0.783 . . . . 0.0 110.749 -171.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -30.44 71.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.426 -0.796 . . . . 0.0 111.48 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.6 m -81.56 -10.57 59.42 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.33 -1.481 . . . . 0.0 111.623 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.89 84.55 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -171.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -70.7 -22.5 62.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.541 1.137 . . . . 0.0 113.41 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -147.89 158.7 44.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.588 2.355 . . . . 0.0 107.246 -176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.5 ttt -144.43 125.49 14.49 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.36 1.464 . . . . 0.0 107.478 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.09 158.41 22.44 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -52.02 -8.42 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.235 2.614 . . . . 0.0 114.771 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.4 -26.17 13.69 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.373 1.469 . . . . 0.0 109.742 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.88 -49.3 80.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.71 -42.14 98.55 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 121.938 -0.742 . . . . 0.0 109.896 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.91 -9.55 47.1 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.433 1.492 . . . . 0.0 112.654 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.2 m -107.66 0.21 22.32 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 126.925 2.09 . . . . 0.0 110.381 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.8 mt -118.82 -32.21 4.58 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.095 0.958 . . . . 0.0 110.058 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.98 -41.47 83.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -64.85 -29.14 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.581 1.553 . . . . 0.0 112.451 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.14 -18.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.454 0.701 . . . . 0.0 109.801 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.22 -54.52 16.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.323 0.965 . . . . 0.0 108.692 168.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -56.39 -66.31 0.46 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 116.865 -1.541 . . . . 0.0 110.081 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -41.14 -44.4 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 120.842 1.655 . . . . 0.0 112.591 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -59.29 4.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 110.243 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -31.78 61.43 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.821 1.648 . . . . 0.0 111.938 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.2 mt -57.77 -48.18 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.794 1.634 . . . . 0.0 108.585 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.55 11.56 30.51 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.326 0.651 . . . . 0.0 112.025 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.91 76.25 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.134 1.35 . . . . 0.0 113.629 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -92.55 158.68 15.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.06 -177.45 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.164 0.586 . . . . 0.0 110.536 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -158.06 130.91 7.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.471 1.108 . . . . 0.0 110.212 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.8 mt -144.09 156.73 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.39 2.276 . . . . 0.0 107.454 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.23 141.34 48.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.534 1.533 . . . . 0.0 108.592 171.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.5 p -128.83 166.18 19.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.792 2.037 . . . . 0.0 111.174 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m 50.62 30.19 4.68 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.137 1.775 . . . . 0.0 114.214 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.92 130.12 42.11 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.482 -1.386 . . . . 0.0 110.238 -170.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -65.91 147.79 52.81 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.531 169.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.09 -39.89 83.59 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.469 1.106 . . . . 0.0 108.896 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 m -66.89 -12.37 59.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.486 0.714 . . . . 0.0 112.615 -172.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -113.33 -41.99 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 128.207 2.603 . . . . 0.0 107.762 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -39.4 93.02 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.897 0.879 . . . . 0.0 109.145 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -55.93 -54.64 42.23 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.32 165.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -58.79 -41.01 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 108.977 -164.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -51.68 -53.48 38.53 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 172.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -64.6 -35.7 81.86 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.452 -1.405 . . . . 0.0 111.771 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 mp -61.36 -18.33 58.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.297 1.039 . . . . 0.0 112.328 170.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -115.62 18.52 15.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.409 1.484 . . . . 0.0 111.242 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 51.01 27.69 3.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.912 2.485 . . . . 0.0 114.28 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -30.93 22.06 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -34.42 77.8 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.444 1.02 . . . . 0.0 109.864 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -63.38 -21.08 66.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.672 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.77 8.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 121.817 2.099 . . . . 0.0 112.856 -165.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -128.13 -171.19 2.39 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 129.821 3.248 . . . . 0.0 107.903 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -125.96 147.13 49.59 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 121.353 -0.842 . . . . 0.0 109.55 163.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -123.79 129.68 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 O-C-N 125.963 2.039 . . . . 0.0 106.224 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.1 p -129.52 172.06 11.94 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.134 1.773 . . . . 0.0 109.983 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.01 -50.91 10.34 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 121.391 -0.818 . . . . 0.0 110.209 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.6 p -119.96 156.41 30.89 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.75 -20.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 110.583 167.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.07 -27.79 24.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.557 1.943 . . . . 0.0 112.332 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.63 -21.12 65.4 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.423 1.011 . . . . 0.0 111.633 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 CA-C-O 117.963 -1.017 . . . . 0.0 111.201 177.391 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mttp . . . . . 0 CA--C 1.514 -0.43 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.24 130.27 55.97 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.86 -43.84 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 128.049 2.54 . . . . 0.0 109.126 -166.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.5 mt 60.99 121.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 129.319 3.048 . . . . 0.0 113.074 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.08 90.73 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 128.084 2.554 . . . . 0.0 107.839 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.1 120.19 11.6 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.397 -0.815 . . . . 0.0 108.885 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.43 -148.17 0.27 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.491 1.117 . . . . 0.0 109.885 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -77.0 -47.37 20.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.958 1.303 . . . . 0.0 110.099 -168.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -142.32 0.1 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.005 0.907 . . . . 0.0 112.408 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -109.95 138.55 46.16 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.85 108.77 18.29 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 167.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.6 mt -78.03 129.53 37.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -117.2 83.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -66.49 130.72 44.13 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 172.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.34 147.2 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -128.98 143.43 50.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.07 143.84 15.53 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.001 1.286 . . . . 0.0 110.46 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.25 148.06 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.192 1.797 . . . . 0.0 109.307 159.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.7 tp -109.38 127.46 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -167.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -147.73 -175.29 4.81 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.443 1.097 . . . . 0.0 111.37 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.08 63.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.845 2.058 . . . . 0.0 114.99 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.66 -35.58 29.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 120.322 1.419 . . . . 0.0 109.487 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.78 -13.11 37.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 -165.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.1 p -63.75 0.99 0.68 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 130.581 3.552 . . . . 0.0 114.24 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -120.56 -25.3 5.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.883 159.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.69 -66.66 0.52 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.625 1.102 . . . . 0.0 111.723 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -49.76 -45.38 49.48 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.027 1.285 . . . . 0.0 110.255 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -55.48 -50.86 68.81 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.83 -50.74 72.28 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.952 1.301 . . . . 0.0 110.367 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -48.27 -43.26 32.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 125.084 1.49 . . . . 0.0 108.603 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.23 -48.25 8.71 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.137 -1.411 . . . . 0.0 109.852 -168.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -62.22 -32.38 73.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 121.911 2.141 . . . . 0.0 111.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -67.62 -48.79 65.75 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -73.59 -38.61 65.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -172.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.05 -36.83 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 119.846 1.203 . . . . 0.0 111.467 169.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -53.16 58.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 173.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 m -53.56 -54.84 31.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.584 1.153 . . . . 0.0 111.794 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.4 t -72.36 126.5 29.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -137.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 m -59.5 -11.37 4.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.177 1.791 . . . . 0.0 113.532 170.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -107.44 166.08 10.92 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 119.654 1.116 . . . . 0.0 109.752 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -110.3 -41.41 4.4 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-O 116.981 -1.485 . . . . 0.0 111.037 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -70.37 145.43 51.13 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 120.835 1.652 . . . . 0.0 110.678 172.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.7 mt -137.69 93.21 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.94 104.84 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.16 155.3 23.84 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.479 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -133.6 107.97 8.3 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.851 1.66 . . . . 0.0 107.298 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.07 19.63 20.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.46 1.504 . . . . 0.0 111.178 -167.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 t -51.59 -30.88 22.74 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 175.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -98.03 -5.38 34.11 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.982 1.713 . . . . 0.0 112.268 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -83.14 89.6 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -80.83 -25.01 38.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.025 -1.047 . . . . 0.0 113.007 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -136.14 156.87 48.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.5 ttt -147.4 138.39 23.63 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 107.544 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.84 174.59 5.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.674 0.79 . . . . 0.0 109.43 166.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m -51.92 -29.02 18.4 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.547 1.139 . . . . 0.0 112.321 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.41 86.33 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.904 0.882 . . . . 0.0 109.46 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.22 59.76 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 125.31 1.433 . . . . 0.0 110.635 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -52.97 46.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.259 1.424 . . . . 0.0 108.928 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.45 -24.34 61.5 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.873 0.749 . . . . 0.0 111.475 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -86.46 -2.06 58.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.597 1.559 . . . . 0.0 111.354 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -117.89 -41.89 2.87 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.35 -20.27 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.41 0.624 . . . . 0.0 111.916 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.8 -40.63 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 121.399 -0.813 . . . . 0.0 110.629 167.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mm -69.06 -31.38 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.259 1.023 . . . . 0.0 109.035 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -54.31 -29.71 48.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.88 -1.138 . . . . 0.0 111.319 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -82.96 -62.2 1.66 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 115.821 -2.037 . . . . 0.0 109.32 164.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -44.94 -42.12 7.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 122.21 2.277 . . . . 0.0 113.764 -171.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.66 -58.09 9.43 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.799 2.04 . . . . 0.0 109.586 173.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.69 58.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.979 1.712 . . . . 0.0 113.319 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -61.11 -41.38 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 121.214 1.824 . . . . 0.0 108.482 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.64 12.58 16.43 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.661 0.664 . . . . 0.0 112.168 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.72 48.0 87.29 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 125.394 1.473 . . . . 0.0 112.855 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -120.5 167.83 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.791 0.796 . . . . 0.0 111.021 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.87 -175.33 4.58 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 128.012 2.525 . . . . 0.0 111.133 -176.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.17 124.16 0.32 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.798 2.039 . . . . 0.0 108.049 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.3 mt -144.52 144.29 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -106.51 138.67 42.27 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.789 1.236 . . . . 0.0 109.533 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.433 ' HG ' ' C ' ' A' ' 105' ' ' ASP . 0.1 OUTLIER -137.27 164.89 27.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.825 0.45 . . . . 0.0 110.884 177.381 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t 45.01 44.96 8.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.353 1.461 . . . . 0.0 111.467 -170.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.42 124.17 24.0 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.43 155.03 22.71 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-O 122.906 1.336 . . . . 0.0 109.768 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.37 -29.6 67.42 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.909 -1.95 . . . . 0.0 109.84 -174.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -79.19 -4.69 51.74 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.652 1.181 . . . . 0.0 112.109 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.83 -39.23 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 124.901 1.28 . . . . 0.0 108.585 -172.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.7 t -55.8 -47.47 77.07 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.266 1.026 . . . . 0.0 108.649 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -60.32 -37.21 79.91 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 120.676 -1.265 . . . . 0.0 113.258 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.66 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.3 -32.4 66.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.819 171.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -69.67 -49.53 52.66 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 122.58 2.446 . . . . 0.0 111.924 174.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.65 -23.55 6.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.011 1.724 . . . . 0.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -120.11 27.96 8.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.635 1.574 . . . . 0.0 111.666 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 46.34 44.39 12.58 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.707 2.403 . . . . 0.0 114.537 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.427 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -112.17 -42.62 3.69 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 128.22 2.608 . . . . 0.0 108.38 -170.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -35.47 67.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 110.332 172.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -7.68 47.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.1 pt -134.0 -26.29 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.481 1.113 . . . . 0.0 112.181 -169.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.8 m-30 -74.86 -169.28 0.86 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.157 1.783 . . . . 0.0 109.872 169.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -133.39 134.34 43.56 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 119.094 0.861 . . . . 0.0 109.251 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.1 mp -124.23 127.59 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 124.7 1.25 . . . . 0.0 108.275 -169.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 p -123.5 173.53 7.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 127.031 2.132 . . . . 0.0 109.075 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' HG ' ' A' ' 82' ' ' SER . 4.8 m-20 -94.58 -71.35 0.67 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 p -93.4 153.51 18.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.456 1.502 . . . . 0.0 108.352 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.84 -14.24 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.143 167.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -75.16 -22.32 58.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.574 1.95 . . . . 0.0 112.24 170.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -2.04 45.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.1 0.96 . . . . 0.0 111.863 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.387 0 CA-C-O 116.95 -1.5 . . . . 0.0 113.327 -165.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.497 -1.058 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.76 133.97 40.65 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.26 -16.41 19.42 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.005 1.322 . . . . 0.0 111.761 -168.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.2 mt 35.16 119.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.937 1 C-N-CA 132.412 4.285 . . . . 0.0 115.153 169.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.96 85.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 C-N-CA 127.842 2.457 . . . . 0.0 106.2 -174.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.66 112.64 3.76 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -79.75 -147.62 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.96 -60.28 2.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.402 -1.436 . . . . 0.0 109.778 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -139.6 3.31 2.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 122.616 1.198 . . . . 0.0 111.527 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -119.98 140.93 50.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 130.636 3.574 . . . . 0.0 106.098 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.97 109.97 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.918 1.287 . . . . 0.0 108.193 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.8 mt -84.69 105.25 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.74 96.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 162.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -68.9 124.6 24.15 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 161.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.23 148.26 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 171.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -113.51 154.31 27.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 154.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.67 150.01 13.46 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.74 1.638 . . . . 0.0 112.295 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -55.36 173.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 129.273 3.029 . . . . 0.0 113.298 167.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG22 ' HG3' ' A' ' 57' ' ' MET . 14.9 tt -136.02 115.0 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 120.102 -1.624 . . . . 0.0 112.16 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.76 -168.99 3.14 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 110.317 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.03 -33.09 64.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.333 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.02 -34.7 79.07 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 121.351 1.887 . . . . 0.0 110.833 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -98.96 -6.73 28.18 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -170.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 8.7 t -68.0 -13.1 61.91 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.021 2.128 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -106.81 -26.49 11.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 119.973 1.26 . . . . 0.0 111.004 163.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -61.65 1.71 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 119.227 0.921 . . . . 0.0 110.133 -175.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.9 tp -53.1 -44.24 67.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.291 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 28' ' ' SER . 24.3 ttmt -54.6 -52.87 60.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.19 0.596 . . . . 0.0 110.829 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.59 -41.0 80.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -58.88 -35.25 72.7 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.998 0.919 . . . . 0.0 109.179 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.81 -46.04 9.79 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-O 115.412 -2.232 . . . . 0.0 111.342 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -56.56 -35.63 68.38 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 123.481 2.855 . . . . 0.0 110.785 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -79.05 -37.6 38.56 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.899 0.879 . . . . 0.0 110.519 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -70.82 -49.7 43.51 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.374 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.8 mt -49.27 -42.21 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.393 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -59.16 -37.94 78.54 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.416 0.553 . . . . 0.0 111.102 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.7 m -71.53 -58.16 3.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.053 0.941 . . . . 0.0 111.622 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.1 t -58.74 118.47 5.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.444 1.116 . . . . 0.0 111.299 -145.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 m -60.02 -32.2 70.66 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.877 0.871 . . . . 0.0 111.899 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -79.06 160.43 27.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 124.297 1.039 . . . . 0.0 108.853 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -106.21 -39.66 5.87 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 117.873 -1.06 . . . . 0.0 111.838 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -76.47 98.26 4.55 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 116.809 -1.567 . . . . 0.0 110.266 -176.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -83.43 102.23 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 121.243 1.838 . . . . 0.0 107.319 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.0 t -96.42 120.96 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 128.442 2.697 . . . . 0.0 107.823 -176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.0 108.99 18.91 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 123.169 0.588 . . . . 0.0 111.395 -175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.47 115.98 19.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 116.305 -1.807 . . . . 0.0 111.587 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.283 0.8 OUTLIER -102.81 22.15 14.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 121.943 2.156 . . . . 0.0 115.454 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -69.43 -23.24 63.66 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.844 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -81.4 -35.64 30.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 120.202 1.364 . . . . 0.0 110.934 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.65 95.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.886 -168.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.6 m -93.23 -7.23 45.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.48 146.99 30.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.4 ' HG3' HG22 ' A' ' 23' ' ' ILE . 10.6 ttt -136.87 153.1 50.86 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.988 0.915 . . . . 0.0 108.997 169.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -133.39 169.24 17.23 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.046 1.738 . . . . 0.0 108.364 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -34.88 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 1 C-N-CA 131.896 4.078 . . . . 0.0 113.495 165.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.55 41.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -37.23 -59.98 1.14 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 128.855 3.122 . . . . 0.0 113.639 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -30.13 67.26 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.854 -2.557 . . . . 0.0 110.758 -169.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.76 78.54 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.724 1.154 . . . . 0.0 112.196 167.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 33.7 m -72.79 -35.39 67.36 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 126.881 2.073 . . . . 0.0 108.161 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.43 -46.04 15.18 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.276 0.489 . . . . 0.0 110.765 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.37 -12.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.014 -1.054 . . . . 0.0 112.76 -173.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.27 -40.89 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.186 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mm -67.83 -27.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 124.221 1.009 . . . . 0.0 109.212 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.62 -16.64 40.53 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.426 -0.796 . . . . 0.0 111.253 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -82.87 -61.51 1.85 Allowed 'General case' 0 C--O 1.22 -0.464 0 O-C-N 120.274 -1.516 . . . . 0.0 110.766 156.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -47.4 -47.06 26.6 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.026 1.739 . . . . 0.0 114.03 -170.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.12 -50.65 72.15 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.665 1.586 . . . . 0.0 108.636 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -51.28 61.55 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.322 -1.323 . . . . 0.0 110.911 173.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.87 -46.17 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 120.18 1.354 . . . . 0.0 109.641 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -88.7 1.13 55.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.007 0.432 . . . . 0.0 111.818 -171.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.89 32.63 48.97 Favored Glycine 0 N--CA 1.443 -0.898 0 O-C-N 121.657 -0.652 . . . . 0.0 112.478 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -110.84 149.49 30.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.03 0.915 . . . . 0.0 108.556 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -85.57 175.95 8.49 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.055 1.342 . . . . 0.0 109.309 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -150.12 132.0 15.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 120.721 -1.237 . . . . 0.0 109.309 -172.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 mt -145.55 153.85 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -119.59 143.31 47.71 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 168.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 m -142.93 162.01 36.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.514 1.125 . . . . 0.0 108.462 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m 55.44 70.37 0.64 Allowed 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 141.86 31.55 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 121.958 0.885 . . . . 0.0 110.177 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -72.44 150.57 43.22 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 107.759 168.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.22 -41.36 71.95 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -62.73 -17.51 60.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.151 1.38 . . . . 0.0 112.862 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.8 mm -117.33 -39.6 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 C-N-CA 125.74 1.616 . . . . 0.0 107.552 -167.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -43.25 99.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -58.66 -37.84 76.84 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.54 170.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -66.38 -47.13 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 -172.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.79 -50.81 69.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.49 -51.59 68.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.502 1.121 . . . . 0.0 111.418 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 mt -46.25 -58.94 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 127.568 2.347 . . . . 0.0 109.439 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.68 1.82 9.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.95 27.06 4.52 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 127.649 2.38 . . . . 0.0 111.95 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -38.33 38.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 125.265 1.426 . . . . 0.0 110.171 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -30.19 70.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 120.904 -1.123 . . . . 0.0 111.192 -169.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.81 -6.02 41.98 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.305 1.842 . . . . 0.0 114.254 176.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -127.95 -14.81 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.596 1.158 . . . . 0.0 111.717 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.71 -178.09 3.55 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.936 2.495 . . . . 0.0 109.868 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -113.39 133.88 54.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -128.91 134.58 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.85 174.08 10.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.074 1.75 . . . . 0.0 109.864 175.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -44.35 10.09 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 123.59 1.662 . . . . 0.0 110.783 -165.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.0 p -125.01 158.84 32.71 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.1 m -58.96 -33.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.22 -37.92 70.33 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.679 1.192 . . . . 0.0 112.828 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -77.26 -8.11 57.05 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.425 -0.797 . . . . 0.0 112.169 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.5 1.12 . . . . 0.0 108.728 176.708 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 121.916 0.865 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.41 176.1 6.35 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 165.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 -42.38 2.49 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.682 0.674 . . . . 0.0 111.311 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.7 mt 64.91 124.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 129.243 3.017 . . . . 0.0 113.116 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.95 87.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 127.19 2.196 . . . . 0.0 105.923 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -61.61 113.25 2.6 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.598 -1.314 . . . . 0.0 108.126 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.69 -154.4 0.18 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.89 2.076 . . . . 0.0 108.069 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.32 -56.52 19.5 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.812 1.245 . . . . 0.0 109.806 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.59 11.28 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -117.75 147.86 42.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.057 -1.027 . . . . 0.0 109.242 165.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.29 109.0 20.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.8 mt -77.46 87.5 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.1 t -86.4 90.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 123.819 1.771 . . . . 0.0 108.459 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -67.62 116.79 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.62 143.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 120.698 1.59 . . . . 0.0 108.47 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -132.84 150.12 52.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.555 1.142 . . . . 0.0 111.705 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.15 150.11 5.29 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.511 1.529 . . . . 0.0 111.393 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.39 143.28 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 109.908 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -103.97 116.63 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.522 0.677 . . . . 0.0 110.036 -169.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -150.66 -179.76 7.52 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.212 1.005 . . . . 0.0 111.869 -155.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -16.38 9.34 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.121 -1.612 . . . . 0.0 112.982 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -37.1 27.19 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.547 1.539 . . . . 0.0 108.369 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -14.51 59.94 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.693 0.797 . . . . 0.0 109.043 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.84 -18.64 5.1 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 124.774 1.296 . . . . 0.0 113.14 -166.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 p -121.08 -22.76 6.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 116.997 -1.478 . . . . 0.0 112.977 165.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.29 -69.22 0.28 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.155 1.343 . . . . 0.0 108.272 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.14 -36.55 80.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -57.29 -45.46 84.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.43 -1.271 . . . . 0.0 109.636 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.78 -50.5 56.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.991 1.268 . . . . 0.0 109.763 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.1 -8.01 3.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.098 1.759 . . . . 0.0 112.212 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.71 -49.54 2.54 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 115.03 -2.414 . . . . 0.0 111.707 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -54.37 -36.83 64.29 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 123.992 3.087 . . . . 0.0 110.321 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -72.04 -52.13 18.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -64.1 -43.67 94.66 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.074 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.78 -35.11 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.557 170.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.6 p -68.73 -50.4 51.0 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.232 1.378 . . . . 0.0 109.538 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.83 -43.64 98.25 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.809 0.844 . . . . 0.0 112.411 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 t -59.98 130.07 44.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.468 1.127 . . . . 0.0 110.405 -151.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -79.7 -6.28 56.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.859 1.664 . . . . 0.0 111.755 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -119.15 150.21 40.43 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.89 1.276 . . . . 0.0 108.761 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -34.21 13.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 118.456 -0.783 . . . . 0.0 113.055 -170.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -78.38 91.9 4.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 117.207 -1.377 . . . . 0.0 110.441 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -83.14 98.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.54 132.66 39.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.83 110.51 15.54 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.332 -169.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -100.06 126.87 46.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.48 1.912 . . . . 0.0 111.282 -170.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.84 18.91 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.911 0.884 . . . . 0.0 113.026 -169.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.0 p -63.03 -25.01 68.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.538 -0.726 . . . . 0.0 112.116 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -78.95 -41.16 29.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.75 -1.219 . . . . 0.0 109.994 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -73.09 112.78 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 125.168 1.387 . . . . 0.0 110.297 -166.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -108.42 -26.95 10.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -167.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -110.69 171.32 7.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.069 1.747 . . . . 0.0 107.704 167.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.4 ttt -160.59 119.97 2.7 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.285 1.034 . . . . 0.0 109.103 170.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -84.79 166.97 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.302 1.041 . . . . 0.0 110.444 170.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -38.23 3.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.699 2.0 . . . . 0.0 112.759 161.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.27 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.283 0.633 . . . . 0.0 110.755 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.24 -59.06 8.31 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -41.39 96.31 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.0 -171.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.66 -22.92 48.21 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.02 0.827 . . . . 0.0 113.268 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -100.36 -12.73 19.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 126.665 1.986 . . . . 0.0 110.239 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -96.73 -42.24 8.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.039 0.936 . . . . 0.0 110.037 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.67 -26.97 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.169 -1.582 . . . . 0.0 111.538 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.57 -35.88 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.905 1.282 . . . . 0.0 111.297 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.0 mm -69.57 -27.23 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.297 -173.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -49.9 64.49 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.12 1.327 . . . . 0.0 108.572 170.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -65.56 -64.13 0.93 Allowed 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 -41.54 4.57 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.111 1.364 . . . . 0.0 113.73 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -60.76 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.915 0.886 . . . . 0.0 109.266 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.43 -41.37 60.76 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 0.0 112.102 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.42 -43.07 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 128.702 2.801 . . . . 0.0 108.437 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -93.21 6.01 49.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.828 1.251 . . . . 0.0 112.068 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.52 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.847 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -105.74 168.74 8.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.74 1.616 . . . . 0.0 109.71 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -116.22 165.77 12.79 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.568 1.547 . . . . 0.0 110.373 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -150.23 124.91 9.73 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.211 1.004 . . . . 0.0 108.714 -169.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.1 mt -142.56 144.73 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.56 154.15 19.1 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 119.722 1.146 . . . . 0.0 110.133 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 p -141.93 163.83 31.82 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.14 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.97 49.95 3.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.399 1.88 . . . . 0.0 113.48 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.23 151.95 38.37 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.698 -1.251 . . . . 0.0 109.541 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -94.62 153.52 17.8 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.833 0.453 . . . . 0.0 110.564 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.73 -16.63 64.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.653 1.181 . . . . 0.0 112.66 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -88.42 -8.32 55.16 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.764 -0.585 . . . . 0.0 111.804 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.78 -41.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.46 1.504 . . . . 0.0 107.952 -161.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -46.81 78.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -57.43 -39.55 76.45 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 124.545 1.138 . . . . 0.0 111.142 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.2 -50.15 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.57 -51.1 71.34 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -49.64 -54.16 20.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.284 1.034 . . . . 0.0 110.805 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.63 -52.81 53.81 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.201 2.2 . . . . 0.0 109.645 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -68.86 4.39 1.51 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.66 32.45 22.18 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.347 1.459 . . . . 0.0 110.978 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.78 19.33 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.697 -1.252 . . . . 0.0 109.817 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.81 62.98 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.019 -1.676 . . . . 0.0 112.334 -175.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -16.5 61.28 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.017 1.327 . . . . 0.0 113.18 170.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.9 pt -142.95 -0.79 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.833 1.253 . . . . 0.0 111.786 -159.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -113.45 -169.61 1.53 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.672 2.789 . . . . 0.0 108.028 174.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -140.6 137.22 33.49 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.843 -1.075 . . . . 0.0 108.399 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.81 136.21 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 124.332 1.02 . . . . 0.0 109.116 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -134.89 -169.75 2.42 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.092 0.957 . . . . 0.0 111.46 170.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.71 -44.99 3.73 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 125.968 1.707 . . . . 0.0 109.963 -171.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -117.63 149.64 40.36 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.4 m -55.0 -27.63 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.126 0.97 . . . . 0.0 111.042 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.85 -35.98 82.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -12.37 58.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.631 1.572 . . . . 0.0 112.84 -177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 C-N-CA 125.474 1.51 . . . . 0.0 109.375 176.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mttp . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.513 ' H ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.7 157.14 24.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.911 2.084 . . . . 0.0 108.372 -178.6 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -107.98 -51.38 2.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.675 0.75 . . . . 0.0 112.238 -168.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.6 mt 67.98 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 129.366 3.067 . . . . 0.0 113.032 168.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -142.42 101.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 127.768 2.427 . . . . 0.0 107.844 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -71.4 106.79 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 120.228 -1.545 . . . . 0.0 106.952 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -79.25 -158.66 0.16 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -65.59 -47.82 74.43 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.02 -1.05 . . . . 0.0 109.81 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -135.9 -9.11 2.09 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.038 2.135 . . . . 0.0 111.334 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.28 127.67 48.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.648 1.979 . . . . 0.0 108.379 -167.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.7 107.05 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.68 109.17 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.58 97.55 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 167.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -74.78 133.72 41.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 166.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.8 t -107.87 145.4 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -123.01 141.22 52.2 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.454 1.502 . . . . 0.0 107.222 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.62 146.69 21.09 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-O 123.47 1.594 . . . . 0.0 111.925 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.04 143.95 37.03 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.964 2.105 . . . . 0.0 106.977 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -110.05 125.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.889 0.852 . . . . 0.0 111.943 -153.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -161.13 -171.02 2.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.129 1.372 . . . . 0.0 110.394 -163.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.11 60.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.865 2.066 . . . . 0.0 114.813 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.18 -17.59 56.62 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.682 1.583 . . . . 0.0 110.432 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -109.56 -11.64 14.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.851 1.26 . . . . 0.0 110.614 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -66.85 -6.18 15.33 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.91 1.684 . . . . 0.0 112.993 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -120.09 -31.08 4.52 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.688 162.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.26 -69.88 0.26 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.409 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.99 -41.55 47.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.352 0.978 . . . . 0.0 110.772 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -52.34 -57.27 10.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.931 0.492 . . . . 0.0 110.112 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.13 -49.29 72.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.724 1.209 . . . . 0.0 109.888 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.36 -7.34 13.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.658 1.583 . . . . 0.0 112.389 -175.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.5 mt -104.69 -53.16 2.74 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-O 116.477 -1.725 . . . . 0.0 109.39 169.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 -62.39 -34.93 77.69 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 123.092 2.678 . . . . 0.0 111.199 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -79.16 -19.67 50.41 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.943 1.297 . . . . 0.0 110.901 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -84.94 -62.28 1.58 Allowed 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 116.036 -1.935 . . . . 0.0 109.121 173.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -43.46 -37.11 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.362 1.465 . . . . 0.0 112.842 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -57.07 -32.09 65.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.168 0.587 . . . . 0.0 111.638 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.68 -42.93 7.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.47 1.908 . . . . 0.0 107.984 -174.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 m -45.13 112.79 0.48 Allowed 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 126.507 1.923 . . . . 0.0 114.747 -163.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -68.82 -7.26 32.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.98 1.712 . . . . 0.0 113.991 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -121.19 108.55 13.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -166.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.41 -36.5 82.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.013 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -77.13 90.84 3.66 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.52 95.53 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.74 144.79 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.21 151.28 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.491 1.116 . . . . 0.0 108.296 168.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -129.82 121.02 25.95 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.361 1.864 . . . . 0.0 108.463 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.29 18.02 14.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.665 1.586 . . . . 0.0 112.483 -168.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -34.43 10.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.511 1.924 . . . . 0.0 111.875 174.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -91.93 -2.48 56.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.379 1.872 . . . . 0.0 113.998 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.13 84.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.011 1.278 . . . . 0.0 107.819 -164.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -18.83 57.25 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 118.146 -0.93 . . . . 0.0 112.276 -173.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -138.4 152.13 48.11 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.032 1.333 . . . . 0.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ttt -147.54 124.12 11.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.685 1.594 . . . . 0.0 107.191 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -89.67 171.19 9.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.6 m -44.95 -18.02 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.695 2.798 . . . . 0.0 113.505 160.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 -48.43 52.97 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.734 1.214 . . . . 0.0 109.933 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.86 -47.72 89.1 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-O 122.203 0.891 . . . . 0.0 112.692 -166.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.498 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.54 -42.04 92.37 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.588 -0.948 . . . . 0.0 110.201 -174.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.12 72.87 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.229 1.395 . . . . 0.0 112.106 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.3 m -88.49 -22.15 23.8 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 125.77 1.628 . . . . 0.0 109.059 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.0 mt -87.72 -47.3 8.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.794 0.725 . . . . 0.0 110.938 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.6 -26.69 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 120.915 -1.116 . . . . 0.0 112.301 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.81 -31.66 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 121.386 -0.821 . . . . 0.0 111.15 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.0 mm -81.48 -29.22 10.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 126.581 1.952 . . . . 0.0 110.156 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.05 -32.31 61.8 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.804 -1.185 . . . . 0.0 109.644 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -68.08 -63.27 1.09 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.017 160.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -49.26 -38.56 27.29 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.386 1.903 . . . . 0.0 114.343 -168.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.83 -57.78 11.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.504 1.122 . . . . 0.0 108.825 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -52.08 -34.05 42.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.756 1.623 . . . . 0.0 112.978 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.74 -44.3 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 120.724 1.602 . . . . 0.0 109.143 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -95.34 14.05 23.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.592 1.157 . . . . 0.0 111.761 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.34 19.16 52.17 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.754 1.645 . . . . 0.0 113.93 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.99 153.99 28.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.63 178.25 8.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.22 1.808 . . . . 0.0 110.393 176.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -159.58 131.49 6.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.457 -0.777 . . . . 0.0 110.668 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.3 mt -142.12 149.88 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.184 1.794 . . . . 0.0 107.423 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -113.78 138.65 49.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.439 1.096 . . . . 0.0 108.096 169.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 167.79 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.729 0.811 . . . . 0.0 112.541 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 50.13 38.37 16.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.43 2.292 . . . . 0.0 112.112 -169.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.75 116.92 9.81 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.994 1.718 . . . . 0.0 109.914 -178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -61.89 144.08 55.47 Favored 'General case' 0 CA--C 1.493 -1.238 0 C-N-CA 124.487 1.115 . . . . 0.0 112.044 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.85 -25.93 68.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.969 -170.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 m -90.93 -7.15 52.91 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mm -104.1 -32.09 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.485 1.514 . . . . 0.0 108.689 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 m -61.48 -48.84 79.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.72 -44.21 63.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.044 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -47.53 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 108.604 -170.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.89 -51.63 66.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -41.63 73.96 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 119.151 0.887 . . . . 0.0 112.233 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 mt -63.71 -57.36 10.24 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 -170.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -71.32 -8.32 52.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.242 1.417 . . . . 0.0 113.058 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 95.2 8.54 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 130.806 3.642 . . . . 0.0 112.812 169.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.45 -33.06 70.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 120.581 -1.325 . . . . 0.0 113.021 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -18.36 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 119.455 1.025 . . . . 0.0 112.193 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -8.19 59.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.402 1.001 . . . . 0.0 113.354 171.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -134.89 8.7 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.797 1.239 . . . . 0.0 111.687 -167.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -129.0 176.38 7.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.532 2.733 . . . . 0.0 108.598 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -114.21 140.12 48.82 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 124.054 0.941 . . . . 0.0 109.77 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.89 135.07 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 O-C-N 125.291 1.619 . . . . 0.0 107.727 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 p -141.58 176.63 8.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.303 2.241 . . . . 0.0 108.942 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 -53.41 4.9 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.929 1.292 . . . . 0.0 109.975 -172.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -122.32 154.92 36.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -167.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.4 m -67.57 -17.99 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.998 0.904 . . . . 0.0 110.102 171.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.48 -45.2 92.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.119 166.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -17.3 52.24 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.998 1.726 . . . . 0.0 112.665 -172.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.873 0.469 . . . . 0.0 111.567 -174.333 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.669 0 CA-C-O 121.93 0.872 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.92 136.84 46.08 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -54.61 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.9 mt 65.38 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 129.484 3.113 . . . . 0.0 112.645 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.03 89.54 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 126.136 1.775 . . . . 0.0 106.793 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 113.06 2.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 167.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.35 -142.36 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.58 -65.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 126.985 2.114 . . . . 0.0 108.797 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -137.3 -2.57 2.01 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.922 1.689 . . . . 0.0 111.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -100.47 133.75 44.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.314 2.646 . . . . 0.0 108.065 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.16 101.44 13.09 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.92 126.7 36.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 105.774 -1.935 . . . . 0.0 105.774 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.75 90.82 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -76.68 117.45 18.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.35 142.12 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 57.8 mt-30 -116.24 152.21 34.24 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.206 1.002 . . . . 0.0 110.023 172.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.98 159.64 29.41 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.821 1.676 . . . . 0.0 112.906 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.22 155.56 40.47 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.412 1.885 . . . . 0.0 107.483 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.259 1.0 OUTLIER -109.65 59.73 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 123.144 1.449 . . . . 0.0 108.31 -160.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -174.91 2.76 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.272 1.429 . . . . 0.0 109.992 -171.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.68 -19.69 2.56 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 119.542 -1.974 . . . . 0.0 113.916 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -62.25 -37.21 84.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.943 1.297 . . . . 0.0 111.553 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -17.77 41.74 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 120.966 -1.084 . . . . 0.0 109.748 175.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -60.73 -10.52 5.51 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -171.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 p -120.64 -23.52 6.01 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.739 154.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.12 -68.63 0.35 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 121.032 1.742 . . . . 0.0 109.873 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.5 -35.75 70.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 119.623 -1.923 . . . . 0.0 111.293 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.12 -49.69 76.66 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.892 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' HH21 ' A' ' 36' ' ' ARG . 6.2 pt-20 -65.02 -46.09 82.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.905 1.229 . . . . 0.0 109.116 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.81 -5.55 44.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.404 1.082 . . . . 0.0 111.098 -169.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.9 mt -112.71 -46.17 3.16 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 115.961 -1.971 . . . . 0.0 110.061 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.409 HH21 ' N ' ' A' ' 33' ' ' GLU . 4.1 ptp180 -56.59 -41.71 77.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 121.618 2.008 . . . . 0.0 109.561 175.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -68.59 -43.01 77.41 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.25 92.63 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.907 1.283 . . . . 0.0 110.707 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -34.11 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.666 1.121 . . . . 0.0 111.926 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -54.07 32.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.692 0.797 . . . . 0.0 110.202 170.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.6 m -60.08 -34.22 73.16 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 t -66.54 117.33 8.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.998 1.38 . . . . 0.0 110.671 -157.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -30.16 69.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.559 1.943 . . . . 0.0 110.623 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -90.44 172.69 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.088 1.755 . . . . 0.0 108.302 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -118.18 -32.03 4.83 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -91.26 99.79 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.644 -1.169 . . . . 0.0 109.956 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mm -90.15 109.32 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.02 102.36 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.546 1.539 . . . . 0.0 108.795 -169.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.37 112.2 23.24 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.635 1.174 . . . . 0.0 111.04 -173.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -93.13 133.32 36.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.857 2.063 . . . . 0.0 110.318 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.1 20.42 9.04 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -173.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.8 p -58.49 -27.29 64.31 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.948 -1.095 . . . . 0.0 112.627 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.1 -36.49 74.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.969 0.908 . . . . 0.0 111.614 174.332 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.7 t -92.7 97.13 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.514 1.126 . . . . 0.0 108.036 -148.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -90.72 -22.81 20.92 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.436 1.495 . . . . 0.0 112.879 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -130.35 150.45 51.58 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.519 1.128 . . . . 0.0 109.182 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ttt -140.11 136.3 33.42 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.344 1.458 . . . . 0.0 108.52 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -110.26 175.88 5.26 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.465 0.65 . . . . 0.0 109.589 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -64.9 -6.39 8.24 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.3 -22.5 26.73 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.26 1.846 . . . . 0.0 109.785 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -57.95 -66.59 2.71 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 124.604 2.224 . . . . 0.0 109.636 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.535 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.75 -28.19 67.16 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 119.155 -2.379 . . . . 0.0 112.363 -178.136 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.93 -7.8 85.06 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 128.683 3.039 . . . . 0.0 112.481 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 52.1 m -89.7 -54.09 4.22 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 127.395 2.278 . . . . 0.0 105.775 165.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.17 -44.58 94.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.828 -0.545 . . . . 0.0 111.907 -169.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.96 -20.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.2 t -69.89 -40.02 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.02 -25.72 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -55.6 -18.63 8.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.082 0.953 . . . . 0.0 112.099 171.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -99.69 -56.34 2.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 116.22 -1.847 . . . . 0.0 110.06 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.64 -45.04 6.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.219 1.827 . . . . 0.0 112.454 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.17 25.01 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.326 0.65 . . . . 0.0 109.747 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -34.04 62.51 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.228 1.811 . . . . 0.0 112.141 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.76 -41.77 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.862 1.21 . . . . 0.0 109.352 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -99.76 12.65 36.09 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.53 24.9 71.58 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.122 1.344 . . . . 0.0 113.86 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -103.67 159.11 15.89 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 119.338 1.569 . . . . 0.0 109.96 -174.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 79' ' ' PHE . 11.4 tp10 -92.43 -174.42 3.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.249 1.02 . . . . 0.0 110.04 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.4 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 14.8 t80 -164.82 127.8 2.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.923 0.889 . . . . 0.0 110.405 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.9 mt -142.77 152.67 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 128.109 2.564 . . . . 0.0 105.783 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -116.85 134.9 54.2 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.22 162.11 27.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.971 0.891 . . . . 0.0 110.984 171.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 60.19 30.34 19.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.856 1.262 . . . . 0.0 112.936 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.54 144.84 56.66 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -77.73 153.25 33.14 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.52 -33.87 71.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.376 0.608 . . . . 0.0 109.418 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -59.49 -17.48 32.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.334 1.054 . . . . 0.0 111.817 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mm -120.33 -41.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.877 2.471 . . . . 0.0 107.25 -165.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.2 m -56.76 -49.25 75.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.829 0.823 . . . . 0.0 109.163 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -54.91 -35.96 64.69 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.589 0.756 . . . . 0.0 112.429 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -47.86 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -171.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.22 -54.21 43.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -52.28 -51.96 55.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.656 0.783 . . . . 0.0 111.209 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.163 0.985 . . . . 0.0 112.101 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.37 16.45 16.82 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 0.0 112.069 175.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 m80 52.99 23.41 2.89 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 128.353 2.661 . . . . 0.0 114.082 -173.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -33.68 46.62 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.031 0.832 . . . . 0.0 111.733 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.38 84.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.267 0.939 . . . . 0.0 110.013 -173.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.69 -10.84 40.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -124.82 -0.11 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.181 1.355 . . . . 0.0 111.712 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -124.68 -179.96 4.73 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 127.117 2.167 . . . . 0.0 108.569 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -123.06 131.42 53.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 124.668 1.187 . . . . 0.0 108.663 173.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -128.01 129.41 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -133.25 173.1 11.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.009 1.724 . . . . 0.0 108.048 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -45.48 8.23 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.395 1.478 . . . . 0.0 109.331 -162.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.7 p -129.99 150.99 51.02 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.35 -41.06 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.79 -38.56 34.84 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.29 1.436 . . . . 0.0 112.668 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -70.14 -29.46 66.39 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.376 -0.828 . . . . 0.0 112.792 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.85 0 C-N-CA 123.478 0.711 . . . . 0.0 110.318 -172.019 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.8 pttt . . . . . 0 CA--C 1.516 -0.336 0 CA-C-O 122.439 1.114 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.521 ' H ' HD21 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -119.12 151.63 37.95 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 128.679 2.791 . . . . 0.0 106.461 169.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -47.19 3.42 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 123.135 0.574 . . . . 0.0 111.376 -172.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt 73.03 127.38 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 129.132 2.973 . . . . 0.0 112.349 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -146.78 74.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.108 2.963 . . . . 0.0 104.587 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -61.92 104.3 0.44 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.57 -1.331 . . . . 0.0 107.706 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -79.08 -157.62 0.13 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 108.523 175.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.17 -48.56 28.44 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.864 1.211 . . . . 0.0 112.388 -170.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -118.86 -10.14 9.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.046 0.939 . . . . 0.0 112.266 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.48 114.41 18.11 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.826 1.65 . . . . 0.0 108.592 -161.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.6 98.49 10.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.7 mt -85.32 118.98 33.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 118.232 -1.387 . . . . 0.0 107.608 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.82 93.96 3.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 126.418 1.887 . . . . 0.0 106.182 170.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -73.67 130.02 39.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -98.74 140.87 17.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -117.18 142.09 47.47 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.942 1.297 . . . . 0.0 110.728 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' A' ' 53' ' ' SER . . . 85.5 161.07 34.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 156.99 18.45 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 125.752 1.621 . . . . 0.0 110.414 165.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 tt -116.03 135.13 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.684 1.994 . . . . 0.0 108.57 -174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.412 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 45.8 p30 -166.83 -162.88 0.51 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.673 1.589 . . . . 0.0 112.555 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.05 -23.95 3.45 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.774 2.029 . . . . 0.0 115.394 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -82.05 -36.51 27.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.719 1.6 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.412 ' HB3' ' H ' ' A' ' 24' ' ' ASP . 6.8 t-20 -71.26 -26.05 62.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.124 1.37 . . . . 0.0 109.01 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -57.93 -14.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.395 1.478 . . . . 0.0 112.376 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -118.29 -31.01 5.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.9 158.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -59.84 -69.07 0.23 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 119.629 1.104 . . . . 0.0 110.395 -174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.95 -34.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.54 -0.725 . . . . 0.0 111.439 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -58.3 -49.82 75.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.05 -51.05 61.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.039 0.836 . . . . 0.0 109.783 177.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.36 1.03 4.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.328 1.851 . . . . 0.0 112.187 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.9 mt -117.02 -44.12 2.82 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 115.558 -2.163 . . . . 0.0 109.738 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -66.95 -40.97 87.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 122.979 2.627 . . . . 0.0 110.297 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -74.69 -34.4 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.219 0.608 . . . . 0.0 109.744 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.87 -43.76 78.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.749 173.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.3 mt -54.75 -45.26 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 119.263 0.938 . . . . 0.0 111.423 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -50.47 -47.59 57.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.71 0.686 . . . . 0.0 109.739 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.9 m -76.5 -44.88 33.34 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.689 0.796 . . . . 0.0 112.637 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.2 t -59.53 133.8 56.43 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.545 1.164 . . . . 0.0 111.222 -156.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 -11.33 57.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 110.854 -171.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -116.83 170.76 8.37 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 127.213 2.205 . . . . 0.0 109.154 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -120.34 -31.4 4.37 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.524 -1.227 . . . . 0.0 113.673 -168.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.3 92.03 5.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.394 -1.289 . . . . 0.0 108.589 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.2 mm -85.3 105.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -98.99 135.56 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.24 107.92 13.12 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 118.917 0.781 . . . . 0.0 109.935 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.53 116.16 27.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.137 1.775 . . . . 0.0 109.376 -175.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -101.16 22.35 12.5 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 121.228 1.831 . . . . 0.0 113.255 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.2 p -57.97 -29.18 65.01 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.48 1.112 . . . . 0.0 112.742 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.4 ' HB3' ' H ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -95.06 -18.36 21.08 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.199 -0.938 . . . . 0.0 111.334 179.138 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.5 t -78.11 107.06 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -173.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.7 m -108.45 -19.79 13.33 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.077 -167.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.79 149.57 52.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 168.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -145.4 154.11 41.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.47 179.43 6.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.357 1.863 . . . . 0.0 108.336 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -61.49 -17.27 53.85 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.56 98.53 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.537 0.735 . . . . 0.0 110.491 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.91 -54.03 41.37 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 125.434 1.492 . . . . 0.0 110.949 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -42.59 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.61 -175.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.12 -10.28 33.11 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.744 1.164 . . . . 0.0 113.627 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -104.95 -36.93 7.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 126.772 2.029 . . . . 0.0 108.879 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.36 -44.78 74.46 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 119.232 0.924 . . . . 0.0 110.284 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.38 -23.87 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.95 1.25 . . . . 0.0 113.517 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.26 -43.84 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.432 0.693 . . . . 0.0 109.46 168.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 mm -71.14 -20.01 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 125.147 1.379 . . . . 0.0 111.752 -175.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.05 -56.14 25.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.39 1.45 . . . . 0.0 108.158 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.98 -60.09 3.97 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 116.528 -1.701 . . . . 0.0 109.717 168.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -58.15 -35.19 71.18 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.931 2.15 . . . . 0.0 112.585 -167.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.98 -54.46 45.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.289 1.035 . . . . 0.0 109.768 170.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.55 -37.54 40.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.082 1.353 . . . . 0.0 112.001 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.86 -37.66 61.56 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 120.158 1.345 . . . . 0.0 109.078 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.54 18.58 21.94 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 118.642 0.655 . . . . 0.0 112.073 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 35.57 92.26 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.621 1.105 . . . . 0.0 113.275 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -109.28 157.9 18.39 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.619 1.21 . . . . 0.0 109.041 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' A' ' 79' ' ' PHE . 7.9 tp10 -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.206 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.411 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 20.0 t80 -167.47 114.81 0.76 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.112 -0.992 . . . . 0.0 110.315 -170.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.6 mt -139.58 147.34 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.2 mt -107.67 148.16 29.75 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.082 1.353 . . . . 0.0 108.374 172.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.46 168.27 23.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.445 1.098 . . . . 0.0 111.09 174.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m 46.29 70.88 0.34 Allowed 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.12 1.768 . . . . 0.0 114.92 -170.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 171.43 9.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.828 0.823 . . . . 0.0 109.244 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -110.58 157.15 19.98 Favored 'General case' 0 CA--C 1.486 -1.505 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.83 -31.56 72.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.328 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -72.33 -15.8 61.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -115.95 -40.01 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.067 1.347 . . . . 0.0 108.229 -164.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -59.43 -51.09 71.37 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -57.27 -32.59 66.76 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 116.803 -1.57 . . . . 0.0 112.136 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -46.85 83.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.31 -45.96 92.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -56.55 -53.24 59.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.796 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.79 -53.68 18.2 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.861 2.065 . . . . 0.0 109.387 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.38 7.96 10.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 59.97 28.15 17.64 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 127.697 2.399 . . . . 0.0 113.413 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.12 -37.1 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.457 1.503 . . . . 0.0 110.633 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -34.91 78.97 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.249 0.931 . . . . 0.0 109.85 -172.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -24.24 67.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 175.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 pt -115.08 -4.79 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.708 1.203 . . . . 0.0 111.197 -166.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.55 -176.73 2.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.544 2.338 . . . . 0.0 105.979 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -126.46 133.97 51.07 Favored 'General case' 0 CA--C 1.504 -0.789 0 O-C-N 121.133 -0.98 . . . . 0.0 108.429 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.56 137.94 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.32 179.84 6.08 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.431 2.292 . . . . 0.0 107.624 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -46.3 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 123.743 0.817 . . . . 0.0 109.694 -172.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.1 p -129.67 148.17 51.53 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.36 -17.32 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.566 -0.709 . . . . 0.0 111.008 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -45.48 92.41 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.144 1.778 . . . . 0.0 113.806 166.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.87 -16.14 62.68 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.404 1.457 . . . . 0.0 112.492 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 C-N-CA 124.99 1.316 . . . . 0.0 110.318 -177.13 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.77 -177.15 3.12 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 128.342 2.657 . . . . 0.0 108.931 -171.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.64 -39.25 2.01 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.639 1.176 . . . . 0.0 111.292 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt 54.62 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 130.193 3.397 . . . . 0.0 114.281 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.29 88.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 126.706 2.002 . . . . 0.0 107.917 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.07 117.17 14.48 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.31 -139.78 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.498 1.119 . . . . 0.0 108.347 -175.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.75 -53.76 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.944 -1.097 . . . . 0.0 111.707 171.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -135.01 -2.31 2.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.859 0.754 . . . . 0.0 112.93 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -107.31 140.46 40.18 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.942 1.297 . . . . 0.0 107.763 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.22 105.15 15.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.3 mt -79.62 126.46 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.69 81.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 36.1 mtt-85 -58.83 133.76 56.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.621 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 160.26 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.641 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -131.68 149.0 52.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.976 2.11 . . . . 0.0 107.897 161.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.67 161.62 37.57 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 124.36 0.981 . . . . 0.0 112.245 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.83 154.56 40.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.557 1.143 . . . . 0.0 108.309 169.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.403 HG21 ' HG3' ' A' ' 57' ' ' MET . 10.3 tt -116.32 103.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 124.755 1.222 . . . . 0.0 111.289 -173.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -150.53 -171.48 3.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.15 1.38 . . . . 0.0 111.533 -164.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.06 -25.41 1.41 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.157 2.183 . . . . 0.0 114.771 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -87.26 -32.87 19.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.343 0.974 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -80.34 -14.14 58.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.215 1.006 . . . . 0.0 109.858 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -9.27 2.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.58 -27.32 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 116.691 -1.624 . . . . 0.0 111.915 163.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -75.2 0.08 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.586 1.084 . . . . 0.0 109.649 -174.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.85 -31.63 68.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.014 -1.054 . . . . 0.0 111.985 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -55.96 -58.01 9.68 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.428 174.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.76 -49.84 74.79 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.428 1.091 . . . . 0.0 109.785 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.22 -6.27 17.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 110.907 -172.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 mt -106.99 -54.5 2.46 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 113.974 -2.917 . . . . 0.0 111.693 168.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -52.26 -36.68 53.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 125.947 3.976 . . . . 0.0 110.963 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -68.69 -46.23 69.59 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -70.62 -40.75 72.96 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.184 -1.389 . . . . 0.0 112.913 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.08 -32.97 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 121.621 2.009 . . . . 0.0 112.952 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 t -65.2 -55.6 17.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.485 1.039 . . . . 0.0 108.856 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.1 m -65.47 -36.55 84.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.249 1.019 . . . . 0.0 112.419 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -57.44 115.79 2.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 122.151 0.977 . . . . 0.0 110.719 -159.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -25.88 68.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.636 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -102.97 171.89 7.13 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.134 0.973 . . . . 0.0 110.319 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -118.31 -30.67 5.18 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 117.012 -1.47 . . . . 0.0 113.013 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.93 134.23 48.17 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 116.003 -2.279 . . . . 0.0 108.32 164.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.48 103.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.1 t -103.29 112.14 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.205 1.802 . . . . 0.0 107.784 -168.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.35 106.31 13.5 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.349 0.595 . . . . 0.0 111.135 -165.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.575 ' HA ' ' HG ' ' A' ' 82' ' ' SER 0.318 1.8 t70 -78.5 138.52 38.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 115.889 -2.005 . . . . 0.0 111.793 -176.043 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -119.6 26.18 9.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 175.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -62.26 -32.5 73.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.274 -0.892 . . . . 0.0 112.581 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.99 -8.28 58.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.118 0.872 . . . . 0.0 111.947 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.16 97.07 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 m -87.08 -15.41 38.6 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -141.77 146.33 35.83 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.85 0.86 . . . . 0.0 109.582 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.403 ' HG3' HG21 ' A' ' 23' ' ' ILE . 12.7 ttt -134.54 135.55 42.41 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 174.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -105.83 173.14 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.768 0.668 . . . . 0.0 109.408 167.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -22.75 13.81 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.595 -0.69 . . . . 0.0 112.494 167.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.97 89.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.572 1.149 . . . . 0.0 109.012 174.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.73 -47.66 89.86 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 124.991 1.282 . . . . 0.0 112.446 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -55.71 31.16 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 -178.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.69 -12.68 28.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 126.773 2.13 . . . . 0.0 114.675 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.6 m -102.56 -16.93 15.95 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 125.685 1.594 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.41 -51.21 4.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.749 1.22 . . . . 0.0 109.005 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.65 -30.73 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.64 1.109 . . . . 0.0 112.098 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.19 -40.87 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.155 169.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.05 -21.67 25.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 C-N-CA 125.017 1.327 . . . . 0.0 110.263 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -57.88 -41.92 83.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.807 1.64 . . . . 0.0 109.467 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -72.12 -63.45 1.14 Allowed 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.42 -44.95 8.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.761 1.625 . . . . 0.0 112.491 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.1 -63.79 1.04 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.417 1.487 . . . . 0.0 110.316 168.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -45.28 -52.31 9.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.889 1.276 . . . . 0.0 111.309 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.61 -35.12 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 128.036 2.534 . . . . 0.0 109.312 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -105.06 7.98 34.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.574 1.15 . . . . 0.0 112.058 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.1 17.91 68.46 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.632 1.587 . . . . 0.0 113.405 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -98.51 159.95 14.61 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 120.958 -1.319 . . . . 0.0 108.937 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -100.73 -177.33 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.651 1.98 . . . . 0.0 109.438 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -159.56 132.8 7.01 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.662 -1.274 . . . . 0.0 109.434 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.7 152.54 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.195 2.198 . . . . 0.0 105.414 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.18 154.15 28.36 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.62 0.768 . . . . 0.0 110.193 168.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.575 ' HG ' ' HA ' ' A' ' 50' ' ' ASP . 5.2 p -140.12 152.57 46.22 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 120.259 1.39 . . . . 0.0 110.2 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.64 40.8 5.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 165.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.48 169.98 14.26 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 124.523 1.129 . . . . 0.0 110.665 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -103.23 157.89 16.69 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.694 167.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.48 -28.91 68.95 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.085 0.865 . . . . 0.0 109.166 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -62.84 -20.16 64.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.274 1.03 . . . . 0.0 112.405 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.89 -41.77 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.174 1.79 . . . . 0.0 107.733 -166.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.5 m -57.83 -45.84 85.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -59.1 -44.24 91.95 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.864 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -169.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.74 -44.67 96.38 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.39 -45.9 90.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 118.901 -2.374 . . . . 0.0 112.707 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -37.16 49.41 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.4 1.88 . . . . 0.0 110.748 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.26 62.3 m -102.96 14.88 30.89 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.041 0.936 . . . . 0.0 112.655 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.42 37.33 28.73 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 127.391 2.276 . . . . 0.0 112.142 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -97.08 -36.19 10.57 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.674 1.99 . . . . 0.0 109.815 -170.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.98 88.56 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -56.52 -19.01 13.51 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.5 pt -113.5 -2.23 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 126.088 1.755 . . . . 0.0 111.014 -175.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.51 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.2 m-85 -111.2 -171.58 1.86 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.858 2.863 . . . . 0.0 105.936 173.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -132.94 144.27 50.02 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 163.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.65 125.27 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.7 p -111.44 173.84 6.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.811 1.645 . . . . 0.0 108.4 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -53.2 5.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.6 p -110.87 161.37 15.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.65 1.18 . . . . 0.0 107.909 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.04 -22.9 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 165.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -73.47 -26.96 61.15 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.6 -1.26 55.71 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.186 0.903 . . . . 0.0 111.095 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.439 2.296 . . . . 0.0 110.347 177.612 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' CG ' ' H ' ' A' ' 6' ' ' LEU . 32.0 tttt . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.41 ' H ' ' CG ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -133.21 151.7 51.94 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 127.205 2.202 . . . . 0.0 107.376 166.021 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -41.84 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.43 1.092 . . . . 0.0 110.161 -160.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mt 61.64 115.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 129.378 3.071 . . . . 0.0 114.128 166.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.65 95.33 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 126.386 1.874 . . . . 0.0 108.538 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.63 121.09 15.14 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 120.58 -1.325 . . . . 0.0 107.803 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.561 ' CD ' ' H ' ' A' ' 12' ' ' ASP . 6.7 tm0? -84.72 -145.32 0.09 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.379 1.471 . . . . 0.0 107.785 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.561 ' H ' ' CD ' ' A' ' 11' ' ' GLN . 10.0 t70 -59.72 -60.21 4.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.249 1.42 . . . . 0.0 108.68 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -144.04 1.79 1.14 Allowed 'General case' 0 CA--C 1.54 0.564 0 O-C-N 125.053 1.471 . . . . 0.0 111.657 -173.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -121.39 143.62 49.11 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.755 2.022 . . . . 0.0 107.591 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.85 109.03 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 118.289 -0.862 . . . . 0.0 108.827 -175.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mt -83.68 87.16 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.8 t -81.52 85.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 169.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 127.4 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.249 -1.759 . . . . 0.0 106.249 167.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.7 t -101.16 143.32 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 120.607 1.549 . . . . 0.0 106.879 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -112.74 164.81 12.91 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.424 0.69 . . . . 0.0 109.14 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.49 136.17 0.4 Allowed Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.509 2.004 . . . . 0.0 115.135 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -42.4 117.07 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 111.531 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 tt -82.23 127.32 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 127.612 2.365 . . . . 0.0 108.909 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -168.76 177.07 5.25 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 120.433 -1.417 . . . . 0.0 110.17 -154.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -22.1 8.8 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.927 0.785 . . . . 0.0 112.165 168.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.44 -45.7 82.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 125.212 1.405 . . . . 0.0 112.333 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -97.98 -5.36 34.33 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 t -50.88 -26.58 6.01 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.799 1.64 . . . . 0.0 112.056 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -121.8 -7.79 8.99 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.237 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -78.99 -75.59 0.23 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 117.7 -1.143 . . . . 0.0 109.928 166.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -42.57 -45.17 4.47 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.901 1.682 . . . . 0.0 112.684 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -55.84 -47.28 77.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.315 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.32 -43.58 70.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.631 0.65 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -63.31 -10.38 16.0 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.948 1.699 . . . . 0.0 112.175 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -117.21 -39.04 3.25 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 114.27 -2.776 . . . . 0.0 110.998 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -61.69 -41.94 98.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 123.757 2.981 . . . . 0.0 110.678 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -73.69 -39.46 64.37 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -71.44 -36.15 71.16 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -31.37 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 120.519 1.508 . . . . 0.0 112.314 168.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -49.44 62.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.145 171.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -56.13 -48.03 77.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.531 1.059 . . . . 0.0 112.279 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -67.58 127.02 31.18 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 123.519 1.628 . . . . 0.0 109.399 -147.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -76.55 -28.21 56.2 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.45 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -97.88 148.48 23.38 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.311 1.444 . . . . 0.0 109.647 -175.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -94.5 -43.81 8.17 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.907 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 133.31 55.98 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 116.703 -1.617 . . . . 0.0 107.609 168.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 mm -124.21 105.05 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.26 129.83 51.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.086 1.754 . . . . 0.0 107.485 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -118.51 103.08 9.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.339 0.656 . . . . 0.0 109.886 -170.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.581 ' HA ' ' HG ' ' A' ' 82' ' ' SER . 10.2 t0 -77.07 131.89 38.62 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.966 -1.492 . . . . 0.0 108.261 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -112.38 14.22 20.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 121.405 1.911 . . . . 0.0 115.324 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 p -55.48 -29.46 58.8 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 120.684 -1.26 . . . . 0.0 112.844 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -93.13 9.6 35.25 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.331 1.052 . . . . 0.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 15.1 t -113.16 156.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.21 -28.97 0.19 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 119.607 1.094 . . . . 0.0 112.805 176.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -107.14 154.61 20.92 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.442 1.497 . . . . 0.0 108.481 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.8 ttt -147.75 121.66 9.37 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.423 1.077 . . . . 0.0 108.96 175.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -79.46 167.68 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.107 0.879 . . . . 0.0 110.124 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -46.76 -29.46 1.94 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.18 2.192 . . . . 0.0 111.713 161.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.16 76.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.942 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.94 -58.42 9.47 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 126.043 1.783 . . . . 0.0 111.883 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -68.57 -44.82 73.62 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.566 0.746 . . . . 0.0 109.204 -172.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.42 60.63 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.53 1.062 . . . . 0.0 112.721 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.7 m -90.32 -34.5 15.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 108.339 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.27 -37.27 21.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 118.813 0.733 . . . . 0.0 112.512 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.22 -20.55 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 120.423 -1.423 . . . . 0.0 111.856 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -40.45 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.801 0.84 . . . . 0.0 110.643 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.67 -27.8 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.243 1.417 . . . . 0.0 110.341 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -36.79 38.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.249 1.019 . . . . 0.0 110.001 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -82.14 -59.04 2.7 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 115.398 -2.239 . . . . 0.0 110.997 167.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.15 -49.02 4.89 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 122.281 2.309 . . . . 0.0 112.252 -172.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.91 16.11 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.424 1.49 . . . . 0.0 108.533 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -51.88 -37.55 52.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.373 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.5 mt -58.58 -46.12 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.611 1.551 . . . . 0.0 109.585 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -87.21 14.03 8.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.684 1.129 . . . . 0.0 111.665 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.62 46.57 93.99 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.765 -1.019 . . . . 0.0 110.788 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -116.47 149.72 39.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.962 1.305 . . . . 0.0 109.52 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.44 177.74 8.59 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.071 2.549 . . . . 0.0 110.241 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -160.76 122.66 3.09 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.354 1.062 . . . . 0.0 109.184 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.13 154.04 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 127.75 2.42 . . . . 0.0 107.195 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.7 mt -112.42 157.14 21.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.581 ' HG ' ' HA ' ' A' ' 50' ' ' ASP . 6.8 p -141.75 149.57 40.62 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.675 2.39 . . . . 0.0 109.989 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 m 66.74 60.66 0.55 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 170.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.2 170.19 8.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.48 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.484 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 19.8 mtmm -141.83 153.78 44.73 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -159.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.92 -28.58 69.03 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.01 0.819 . . . . 0.0 109.919 -170.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 m -81.99 0.68 39.04 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.196 0.999 . . . . 0.0 113.143 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -126.54 -40.39 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.133 1.373 . . . . 0.0 109.923 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.1 p -56.77 -46.38 81.5 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -56.56 -47.43 79.49 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.275 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mt -58.24 -48.61 84.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 120.866 1.666 . . . . 0.0 107.192 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.7 -43.39 93.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.55 -56.97 14.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.282 -1.511 . . . . 0.0 111.76 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.3 mt -45.04 -38.43 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 130.109 3.364 . . . . 0.0 111.666 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 m -97.5 8.31 44.86 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 59.52 24.25 12.96 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 127.755 2.422 . . . . 0.0 113.305 -174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -82.24 -36.88 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.513 1.925 . . . . 0.0 111.009 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.62 -35.29 80.03 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.362 -0.836 . . . . 0.0 110.298 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -69.76 -6.84 34.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 175.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 pt -127.75 6.76 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.554 1.542 . . . . 0.0 111.025 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.26 -171.73 2.4 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 128.563 2.745 . . . . 0.0 106.804 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.67 139.39 49.06 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 121.556 -0.715 . . . . 0.0 109.306 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.3 mt -134.71 127.49 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -171.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.6 p -117.8 -174.4 2.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.35 2.26 . . . . 0.0 111.567 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -106.19 -59.37 1.79 Allowed 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.831 2.052 . . . . 0.0 106.049 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.2 p -102.21 151.51 22.13 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 t -59.03 -34.92 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 124.846 1.259 . . . . 0.0 108.505 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.345 0.658 . . . . 0.0 111.785 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.22 -0.44 22.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 112.471 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.828 0 C-N-CA 125.211 1.404 . . . . 0.0 109.581 -178.89 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.5 mtp . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 117.418 -1.277 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -138.43 112.69 8.67 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 120.371 1.442 . . . . 0.0 108.977 -167.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.97 86.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 164.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 tm? 55.35 130.78 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.048 1 C-N-CA 132.662 4.385 . . . . 0.0 116.48 173.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 15.2 ttpp -164.45 171.36 14.76 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.708 -174.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.446 ' H ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.68 159.15 28.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.869 2.467 . . . . 0.0 109.039 169.617 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.42 -38.8 5.38 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.997 -1.065 . . . . 0.0 112.042 -175.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mt 56.54 112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 128.966 2.907 . . . . 0.0 114.753 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.8 t -141.43 105.65 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.894 1.677 . . . . 0.0 109.237 -167.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.58 115.56 9.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 -153.64 0.22 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.1 -54.05 17.01 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.102 0.961 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -138.79 6.58 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.894 1.331 . . . . 0.0 112.095 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -120.47 139.48 52.81 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.533 1.933 . . . . 0.0 107.181 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.17 107.42 18.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -175.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.6 mt -86.07 94.77 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-O 122.063 0.935 . . . . 0.0 109.345 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.34 86.15 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.425 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 15.8 mtm180 -68.45 139.93 55.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 117.907 -1.517 . . . . 0.0 107.623 169.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.12 154.3 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.75 135.96 46.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.964 1.706 . . . . 0.0 109.202 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.05 156.95 32.26 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.74 162.24 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.684 1.193 . . . . 0.0 110.513 161.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.7 tt -118.48 105.87 18.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.646 1.178 . . . . 0.0 110.722 -159.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -142.63 -160.43 1.1 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.352 1.061 . . . . 0.0 113.637 -169.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.18 -32.16 9.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.509 2.324 . . . . 0.0 114.449 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -67.34 -45.92 74.96 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.979 1.263 . . . . 0.0 109.559 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -28.75 69.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.805 0.842 . . . . 0.0 109.384 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -15.67 29.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.098 1.499 . . . . 0.0 112.284 -172.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -121.66 -28.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 117.142 -1.409 . . . . 0.0 113.974 154.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.7 -71.55 0.1 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.416 1.462 . . . . 0.0 110.794 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.23 -35.77 67.74 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.401 1.001 . . . . 0.0 110.913 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -56.16 -46.87 79.14 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -65.18 -54.04 35.69 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.516 1.526 . . . . 0.0 111.089 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.59 0.2 1.73 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.822 2.049 . . . . 0.0 112.49 -175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.9 mt -120.32 -52.25 2.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.957 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -56.98 -35.13 68.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 122.428 2.376 . . . . 0.0 110.514 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -77.74 -43.88 29.51 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.53 -44.1 87.94 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.886 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mt -54.71 -25.01 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 120.276 1.398 . . . . 0.0 113.635 171.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -56.29 6.12 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 171.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 m -55.97 -42.63 76.59 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.856 2.062 . . . . 0.0 112.51 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -59.03 125.44 23.63 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.426 1.108 . . . . 0.0 111.084 -155.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -31.89 68.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.686 1.195 . . . . 0.0 108.612 170.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -99.77 133.22 44.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 118.955 0.798 . . . . 0.0 110.552 -175.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -77.21 -36.0 55.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.433 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -81.04 89.7 5.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.924 1.238 . . . . 0.0 110.076 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.1 mm -80.01 96.3 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -171.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 t -86.08 136.58 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.82 143.77 34.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.425 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 19.1 t70 -118.14 119.37 34.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.103 1.361 . . . . 0.0 110.704 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.5 21.59 14.98 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 123.386 0.674 . . . . 0.0 111.394 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 t -58.31 -29.48 65.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.811 1.244 . . . . 0.0 111.628 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -99.07 3.55 46.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.29 1.436 . . . . 0.0 112.164 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 40.7 t -91.97 89.71 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -75.11 -24.95 58.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -142.08 155.8 45.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.075 1.75 . . . . 0.0 107.783 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 ttt -140.73 132.46 27.33 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.784 1.634 . . . . 0.0 109.5 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.54 166.38 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.987 1.715 . . . . 0.0 108.836 169.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -26.72 8.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.275 1.03 . . . . 0.0 112.265 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.12 48.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.733 1.613 . . . . 0.0 109.683 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.42 -64.62 1.52 Allowed Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 126.193 1.854 . . . . 0.0 111.474 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -38.36 77.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.984 -159.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.26 -29.87 75.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.154 0.909 . . . . 0.0 111.862 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -81.56 -23.61 37.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.174 0.99 . . . . 0.0 109.073 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -46.37 9.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 119.63 1.105 . . . . 0.0 110.533 176.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.37 -30.05 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 119.326 0.967 . . . . 0.0 113.259 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.55 -30.88 51.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.638 -1.289 . . . . 0.0 111.165 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.43 -18.03 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.66 0.784 . . . . 0.0 110.049 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.14 -39.67 90.94 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 120.341 -1.474 . . . . 0.0 109.964 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -69.57 -55.54 9.84 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 115.994 -1.955 . . . . 0.0 109.293 168.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -50.76 -40.8 55.83 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 122.126 2.239 . . . . 0.0 112.925 -173.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.49 46.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.782 -1.199 . . . . 0.0 109.361 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -16.9 52.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.607 1.963 . . . . 0.0 113.471 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.1 mt -71.1 -29.1 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 120.953 1.706 . . . . 0.0 109.031 170.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -113.45 12.11 18.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.833 0.853 . . . . 0.0 112.99 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.46 51.28 57.38 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.314 1.435 . . . . 0.0 111.514 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -107.19 154.75 20.75 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.836 0.855 . . . . 0.0 109.575 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 173.76 8.94 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.874 1.27 . . . . 0.0 108.35 174.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -155.47 124.63 6.22 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.634 -0.667 . . . . 0.0 111.649 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.78 150.52 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.189 1.796 . . . . 0.0 107.159 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.3 mt -113.02 142.37 45.79 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.56 1.544 . . . . 0.0 107.687 170.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.82 164.11 31.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.096 0.474 . . . . 0.0 111.615 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t 60.94 27.07 16.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 113.41 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 25.4 mt -62.91 129.66 41.37 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 120.751 -1.218 . . . . 0.0 110.625 -179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -66.35 151.54 46.9 Favored 'General case' 0 CA--C 1.492 -1.283 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.285 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -66.74 -28.38 68.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.703 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 t -70.05 -8.86 52.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.163 1.385 . . . . 0.0 113.141 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mm -120.97 -38.44 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 126.156 1.783 . . . . 0.0 108.63 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 m -54.87 -52.91 61.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.9 0.857 . . . . 0.0 108.857 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.27 -37.95 65.3 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.78 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -51.55 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.57 -50.59 71.46 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -56.76 -50.91 70.84 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.953 -1.092 . . . . 0.0 111.834 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 mt -54.05 -53.7 49.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.727 1.611 . . . . 0.0 109.937 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -80.51 18.85 0.86 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.425 1.09 . . . . 0.0 112.118 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 55.37 19.34 3.01 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 127.856 2.462 . . . . 0.0 115.297 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -76.83 -38.47 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.858 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -46.85 88.58 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.126 0.57 . . . . 0.0 109.703 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' HE3' HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -57.58 -13.4 3.77 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 176.587 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.404 HG23 ' HE3' ' A' ' 99' ' ' LYS . 10.1 pt -125.57 9.75 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.253 1.821 . . . . 0.0 111.398 -174.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.1 m-85 -120.98 -158.09 0.74 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.008 2.123 . . . . 0.0 108.293 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -141.07 133.18 27.88 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 124.935 1.294 . . . . 0.0 108.268 169.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -127.75 133.4 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 O-C-N 124.816 1.322 . . . . 0.0 109.257 -176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -133.28 -176.44 4.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.193 1.797 . . . . 0.0 111.195 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.13 -34.93 6.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.936 1.294 . . . . 0.0 111.392 -161.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 49.8 p -128.85 153.27 47.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.144 1.778 . . . . 0.0 106.55 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.16 -22.7 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.489 -1.382 . . . . 0.0 110.692 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.82 -32.11 73.17 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.234 -0.916 . . . . 0.0 112.717 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -2.57 56.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.541 1.064 . . . . 0.0 112.457 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.905 1.682 . . . . 0.0 109.366 172.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -121.5 170.01 10.09 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.278 1.031 . . . . 0.0 108.742 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -126.52 40.24 3.77 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.2 tp -63.36 115.88 5.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.996 1.718 . . . . 0.0 110.858 -171.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 164.57 -179.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.443 3.097 . . . . 0.0 108.151 -176.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.15 165.03 18.98 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 125.875 1.67 . . . . 0.0 108.263 173.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -119.59 -39.28 2.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.15 1.38 . . . . 0.0 109.943 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.5 mt 64.35 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 130.38 3.472 . . . . 0.0 114.371 167.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.96 83.18 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 127.586 2.355 . . . . 0.0 106.979 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.89 110.27 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 120.33 -1.481 . . . . 0.0 108.528 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -148.64 0.05 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -80.9 -52.68 7.19 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.28 -1.513 . . . . 0.0 110.986 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.75 -5.12 5.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.974 1.31 . . . . 0.0 112.738 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -113.32 124.57 52.78 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.255 1.822 . . . . 0.0 107.315 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.6 99.08 12.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.95 125.67 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.6 t -111.11 93.63 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 168.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.79 120.02 6.69 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 162.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.95 161.29 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 170.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -135.79 145.22 46.29 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.378 1.471 . . . . 0.0 109.591 163.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.52 153.35 29.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 125.202 1.382 . . . . 0.0 110.32 170.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.66 165.44 1.65 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 122.06 0.933 . . . . 0.0 110.071 156.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -130.67 134.13 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.168 0.987 . . . . 0.0 108.658 -167.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -160.39 -173.75 4.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -167.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -19.46 61.49 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.396 1.478 . . . . 0.0 113.708 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.35 -14.98 39.26 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 119.973 1.261 . . . . 0.0 109.774 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.14 -14.0 13.46 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.68 1.592 . . . . 0.0 111.189 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -64.43 -4.96 4.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -116.18 -24.44 8.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.403 1.001 . . . . 0.0 111.133 160.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.63 -71.93 0.16 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.085 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.4 tp -51.5 -41.4 60.94 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.009 1.277 . . . . 0.0 110.702 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -54.82 -50.01 69.63 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.984 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.68 -49.23 78.56 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.555 1.142 . . . . 0.0 112.174 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -58.31 -16.0 12.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.781 1.632 . . . . 0.0 110.907 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.95 -45.26 2.98 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-O 114.428 -2.701 . . . . 0.0 112.235 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -41.68 64.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 123.974 3.079 . . . . 0.0 110.402 171.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -75.11 -34.9 61.75 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -171.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -73.8 -43.64 58.25 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.318 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 7.1 mt -53.07 -40.02 35.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 120.016 1.28 . . . . 0.0 111.464 175.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.4 t -53.42 -55.78 22.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.52 1.528 . . . . 0.0 109.244 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.5 m -57.81 -54.62 44.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.326 1.451 . . . . 0.0 112.25 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . 0.251 9.9 t -64.85 136.89 57.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 122.952 1.358 . . . . 0.0 113.618 -136.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 m -78.99 -1.4 35.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.904 1.682 . . . . 0.0 113.003 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -119.47 161.37 20.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.873 -1.142 . . . . 0.0 109.353 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -49.83 3.7 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.995 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HE3' ' CD1' ' A' ' 80' ' ' ILE . 4.6 tttp -74.0 94.07 2.31 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 117.604 -1.188 . . . . 0.0 110.598 -172.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.6 mm -83.78 110.38 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.38 116.42 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.01 1.724 . . . . 0.0 109.74 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 109.31 14.51 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -164.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -91.14 118.69 30.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 127.424 2.289 . . . . 0.0 110.143 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.5 23.73 14.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.728 1.604 . . . . 0.0 113.3 -170.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.0 p -58.1 -26.01 62.05 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -86.26 -7.09 58.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.854 1.262 . . . . 0.0 112.045 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -93.11 79.4 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -164.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -72.69 -18.49 61.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.751 1.62 . . . . 0.0 113.509 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -145.38 156.6 43.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.536 1.535 . . . . 0.0 107.426 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttt -143.85 139.61 29.36 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.38 171.81 7.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.144 1.378 . . . . 0.0 108.904 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 m -55.88 -16.55 4.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.019 0.928 . . . . 0.0 113.334 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.78 39.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.895 0.878 . . . . 0.0 111.835 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.62 -49.7 23.22 Favored Glycine 0 C--O 1.224 -0.49 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -169.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.441 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -61.18 -45.87 92.83 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.456 1.502 . . . . 0.0 109.958 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.7 47.62 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.673 1.606 . . . . 0.0 114.021 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.2 m -100.41 -47.05 5.04 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.568 2.347 . . . . 0.0 107.283 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 mt -57.58 -46.44 83.98 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 120.262 1.392 . . . . 0.0 110.195 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.71 -25.88 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.6 -47.49 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.2 1.0 . . . . 0.0 108.764 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 35.9 mm -67.54 -35.63 73.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.159 -169.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -39.97 68.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.071 1.305 . . . . 0.0 110.558 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -63.15 -64.84 0.79 Allowed 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.76 -46.32 2.64 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.859 2.064 . . . . 0.0 112.955 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.12 -63.63 1.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.455 1.902 . . . . 0.0 108.478 173.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -43.54 65.93 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.584 1.154 . . . . 0.0 112.28 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.2 mt -55.05 -27.99 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 126.176 1.791 . . . . 0.0 109.833 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -113.44 19.61 16.78 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.33 30.46 58.6 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.628 1.109 . . . . 0.0 113.364 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.4 172.44 7.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.119 1.459 . . . . 0.0 109.191 -172.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -128.31 170.95 12.47 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.855 2.062 . . . . 0.0 108.812 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -150.43 130.59 13.57 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.362 0.983 . . . . 0.0 111.714 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.41 ' CD1' ' HE3' ' A' ' 46' ' ' LYS . 36.4 mt -144.07 145.3 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.684 1.594 . . . . 0.0 107.067 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.24 148.81 30.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.891 1.676 . . . . 0.0 108.827 171.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 p -139.72 160.83 38.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.82 1.248 . . . . 0.0 110.276 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.5 33.59 19.21 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.014 -1.054 . . . . 0.0 113.303 171.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.4 mt -68.93 138.67 54.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.405 -0.81 . . . . 0.0 109.742 -174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -69.34 147.32 51.27 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.09 -39.16 71.7 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.115 0.884 . . . . 0.0 109.62 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 m -71.04 -17.82 62.6 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.68 -35.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 m -57.93 -49.54 76.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.284 -0.885 . . . . 0.0 109.304 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.58 -36.38 69.28 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.483 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.1 -51.62 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 -172.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.95 -51.62 68.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -53.48 -49.28 67.8 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.719 0.808 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.44 -58.32 8.22 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 126.802 2.041 . . . . 0.0 111.492 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.8 m -73.27 3.39 5.84 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 76.1 32.34 0.62 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 128.797 2.839 . . . . 0.0 111.436 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mp -85.86 -41.21 15.19 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.872 1.269 . . . . 0.0 111.594 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -33.38 75.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.044 1.293 . . . . 0.0 109.903 -168.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -24.82 66.65 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 171.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.68 3.87 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 120.268 1.394 . . . . 0.0 111.562 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.11 -166.86 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.419 2.288 . . . . 0.0 106.378 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -137.53 134.49 35.74 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.261 1.424 . . . . 0.0 107.617 177.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.0 mp -132.74 130.74 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 125.411 1.484 . . . . 0.0 108.716 -170.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 65.5 p -131.96 176.53 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.645 1.178 . . . . 0.0 111.435 171.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.34 -55.37 4.36 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.7 p -113.41 167.05 10.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.222 1.009 . . . . 0.0 108.333 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.12 -20.4 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.705 167.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.53 -56.6 18.24 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.521 1.128 . . . . 0.0 109.672 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -9.27 52.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.254 0 C-N-CA 128.849 2.86 . . . . 0.0 112.283 -175.403 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtt . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -135.99 165.61 25.26 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 161.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -151.48 100.05 2.68 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 103.013 -2.958 . . . . 0.0 103.013 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.5 tp -78.71 96.43 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.449 -0.782 . . . . 0.0 111.032 -165.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.0 -160.84 0.83 Allowed 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 123.132 1.444 . . . . 0.0 112.529 -170.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.43 144.4 51.37 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 128.928 2.891 . . . . 0.0 105.494 165.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.26 -42.67 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.007 1.323 . . . . 0.0 109.555 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt 60.06 123.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 129.082 2.953 . . . . 0.0 114.201 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.63 80.63 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 127.221 2.208 . . . . 0.0 106.325 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -57.88 119.07 6.06 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -103.87 -162.71 0.92 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.939 1.696 . . . . 0.0 109.55 -176.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -59.63 -52.7 64.39 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.232 0.613 . . . . 0.0 110.506 -159.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.88 9.52 3.58 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.808 1.243 . . . . 0.0 110.587 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -132.69 133.23 43.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.533 1.533 . . . . 0.0 109.041 -168.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.2 111.47 23.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.68 99.03 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.19 93.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 163.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -69.89 116.22 10.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 116.63 -2.028 . . . . 0.0 106.143 162.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -65.43 166.48 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 171.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.4 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 40.9 mt-30 -133.89 136.7 44.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.877 0.871 . . . . 0.0 109.621 155.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 142.03 12.73 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.928 1.252 . . . . 0.0 114.406 164.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -54.46 136.18 44.65 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 127.613 2.365 . . . . 0.0 110.014 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.1 tt -96.19 115.82 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.644 0.735 . . . . 0.0 109.146 -169.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -134.46 -162.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 110.154 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.33 73.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.306 1.442 . . . . 0.0 113.422 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -63.39 -45.43 91.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 120.141 1.337 . . . . 0.0 107.77 172.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -78.44 -16.02 58.02 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -65.49 -18.13 65.08 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 123.796 0.838 . . . . 0.0 110.79 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -116.05 -22.91 8.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.63 166.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.31 -67.29 0.48 Allowed 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.35 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -47.77 -44.58 28.42 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 121.088 1.767 . . . . 0.0 110.843 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.993 1.317 . . . . 0.0 108.811 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.11 -55.37 33.25 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 126.252 1.821 . . . . 0.0 111.645 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -57.29 -27.3 62.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.689 1.196 . . . . 0.0 109.47 -171.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.84 -47.84 7.38 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-O 114.399 -2.715 . . . . 0.0 111.689 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.68 -33.31 72.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 124.106 3.139 . . . . 0.0 111.678 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -66.16 -48.55 70.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.13 -47.32 86.76 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.213 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.18 -31.15 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.65 1.18 . . . . 0.0 111.555 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -57.47 11.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.995 1.318 . . . . 0.0 108.782 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -65.98 -35.3 80.22 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.083 1.753 . . . . 0.0 114.067 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 t -63.77 124.97 22.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 123.475 1.607 . . . . 0.0 111.598 -152.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -81.03 3.98 21.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 113.99 -1.459 . . . . 0.0 112.065 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.5 mmtt -128.8 142.78 50.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 126.937 2.095 . . . . 0.0 108.63 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -89.73 -41.32 11.96 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.89 -173.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -57.41 128.1 35.34 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 116.749 -1.596 . . . . 0.0 109.444 169.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -117.47 103.19 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.89 132.34 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.07 103.65 10.45 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 124.032 0.933 . . . . 0.0 110.491 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -75.34 120.89 21.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.467 -1.73 . . . . 0.0 108.802 174.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -103.1 19.44 19.54 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 122.125 2.239 . . . . 0.0 113.176 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t -55.24 -31.94 61.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.962 -0.461 . . . . 0.0 111.637 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.4 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 1.1 t -87.16 2.79 48.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 112.383 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.6 t -119.4 90.76 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -168.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -87.57 -20.14 26.85 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.662 1.985 . . . . 0.0 114.741 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -124.31 166.29 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.005 2.122 . . . . 0.0 107.99 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 9.9 ttt -160.85 140.11 10.51 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.74 169.86 9.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.736 0.814 . . . . 0.0 110.401 172.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.8 m -56.57 -17.89 10.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.292 1.037 . . . . 0.0 112.462 167.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.99 69.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.779 1.172 . . . . 0.0 109.246 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -51.66 -53.36 29.53 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 126.258 1.885 . . . . 0.0 110.532 -176.417 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -35.06 76.36 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 118.285 -2.891 . . . . 0.0 110.879 -168.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.47 -26.07 69.26 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.362 0.982 . . . . 0.0 112.882 169.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 12.2 m -69.27 -54.76 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 106.543 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.39 -45.17 92.31 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.929 1.292 . . . . 0.0 109.832 -171.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -71.34 -15.92 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 120.957 -1.089 . . . . 0.0 113.773 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -34.89 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.616 -0.678 . . . . 0.0 110.972 167.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.14 -31.7 55.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 123.575 0.75 . . . . 0.0 109.961 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -10.7 53.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.48 -1.388 . . . . 0.0 112.165 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -90.13 -72.85 0.54 Allowed 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 167.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.56 -41.31 2.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.863 1.665 . . . . 0.0 114.575 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.74 -59.88 3.45 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 126.65 1.98 . . . . 0.0 109.524 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -45.39 35.79 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.648 1.579 . . . . 0.0 111.012 174.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.49 -29.88 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.733 2.013 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.84 12.57 32.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.985 1.314 . . . . 0.0 112.47 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.78 39.94 65.31 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.884 1.23 . . . . 0.0 112.358 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.22 159.69 26.77 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.366 1.083 . . . . 0.0 111.855 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.05 -176.21 6.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 127.453 2.301 . . . . 0.0 110.361 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -167.8 124.98 1.14 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.901 1.68 . . . . 0.0 109.277 171.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.5 mt -142.75 148.88 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 129.097 2.959 . . . . 0.0 105.528 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.4 mt -116.79 142.36 47.02 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.196 0.999 . . . . 0.0 108.965 172.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.3 167.76 21.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.018 0.527 . . . . 0.0 111.638 172.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 58.07 31.11 20.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.805 2.042 . . . . 0.0 112.746 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.43 128.42 36.11 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.15 -0.969 . . . . 0.0 110.921 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -71.67 146.61 48.14 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.702 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -68.09 -20.31 64.93 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.844 -171.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 -0.79 51.4 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.952 173.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -117.98 -37.21 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 126.437 1.895 . . . . 0.0 108.251 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -57.07 -48.23 79.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -54.54 -37.3 65.25 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 112.59 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -48.84 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -171.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -55.2 -51.19 67.36 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -55.89 -50.45 70.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.944 0.898 . . . . 0.0 111.237 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.6 mt -50.82 -45.26 59.38 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.09 2.156 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -99.1 27.58 4.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.221 1.408 . . . . 0.0 110.664 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 54.42 26.16 6.79 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 129.103 2.961 . . . . 0.0 115.902 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.06 -39.26 14.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 124.404 1.082 . . . . 0.0 112.878 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.03 -37.36 86.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.502 1.046 . . . . 0.0 109.847 -174.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -60.4 -7.12 1.85 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.539 -1.696 . . . . 0.0 114.45 172.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.5 pt -139.14 -9.34 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.715 2.052 . . . . 0.0 113.564 -173.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -98.8 -177.57 3.69 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.805 1.642 . . . . 0.0 108.409 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.6 118.55 33.43 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.506 -0.746 . . . . 0.0 110.97 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.2 mp -126.67 129.44 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 109.598 -173.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 175.59 8.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.803 1.641 . . . . 0.0 109.704 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.31 -64.03 1.18 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 p -103.24 146.44 28.43 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.81 -32.13 42.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.483 -0.761 . . . . 0.0 109.664 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.29 -36.28 68.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.084 0.954 . . . . 0.0 112.36 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.13 -1.27 31.75 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.649 -178.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 120.719 0.295 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -163.78 175.33 10.6 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.557 1.943 . . . . 0.0 106.927 164.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -150.28 88.52 1.52 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 155.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 tp -155.11 112.42 3.34 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -165.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -170.94 160.07 6.45 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 109.03 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.514 ' H ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.29 152.59 18.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 172.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -23.35 7.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.781 0.832 . . . . 0.0 111.931 -162.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mt 42.22 110.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 130.525 3.53 . . . . 0.0 114.837 163.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -135.69 95.93 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 126.812 2.045 . . . . 0.0 107.551 -170.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.88 116.79 13.8 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.262 -1.523 . . . . 0.0 108.351 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -151.4 0.19 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.014 1.325 . . . . 0.0 108.971 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.98 -57.32 8.07 Favored 'General case' 0 CA--C 1.517 -0.315 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -172.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -139.07 10.14 2.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 123.598 1.666 . . . . 0.0 113.214 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -120.79 136.57 54.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 129.368 3.067 . . . . 0.0 107.201 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 115.55 28.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.964 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -82.85 92.88 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.5 t -79.21 89.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 166.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -67.65 133.16 48.87 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 165.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -98.06 159.25 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 173.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -132.74 145.06 50.71 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 125.147 1.379 . . . . 0.0 108.441 165.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.87 149.7 26.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 126.437 1.97 . . . . 0.0 110.166 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.8 159.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 110.164 147.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.6 tt -122.91 118.06 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 C-N-CA 127.767 2.427 . . . . 0.0 107.324 -172.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -136.3 -175.99 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.049 -1.032 . . . . 0.0 112.862 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.33 -31.09 68.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.813 1.645 . . . . 0.0 113.483 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -76.43 -34.45 58.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.689 1.132 . . . . 0.0 109.918 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -80.76 -10.1 59.75 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.657 1.183 . . . . 0.0 108.347 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 t -68.02 -6.12 20.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 126.862 2.065 . . . . 0.0 113.008 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -111.51 -25.04 9.79 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 119.596 1.089 . . . . 0.0 110.78 163.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.75 -67.49 0.55 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.983 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -49.74 -44.85 48.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.64 2.018 . . . . 0.0 111.12 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -50.85 -55.73 15.59 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.087 0.867 . . . . 0.0 110.27 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -63.38 -43.29 98.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -64.52 -24.57 67.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.205 0.602 . . . . 0.0 110.118 -174.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.59 -44.41 11.26 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-O 114.478 -2.677 . . . . 0.0 111.71 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -36.71 75.44 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 125.213 3.642 . . . . 0.0 110.631 174.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -67.34 -43.52 81.36 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -76.73 -44.09 34.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.085 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -49.58 -37.29 11.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 120.672 1.578 . . . . 0.0 111.366 168.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -14.12 60.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.068 1.304 . . . . 0.0 112.816 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -84.76 -53.82 5.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 120.303 1.41 . . . . 0.0 110.107 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -51.23 113.42 0.93 Allowed 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.775 2.03 . . . . 0.0 111.135 -141.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 t -62.12 -35.46 78.79 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.123 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.73 144.37 25.58 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.445 -0.784 . . . . 0.0 110.11 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -78.33 -42.47 30.52 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 117.768 -1.111 . . . . 0.0 113.119 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -81.57 92.69 6.57 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 117.437 -1.268 . . . . 0.0 110.745 -164.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.8 mm -85.24 103.3 12.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -171.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -94.76 138.1 21.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.59 111.03 19.31 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 110.144 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -90.61 114.41 26.66 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.182 -1.389 . . . . 0.0 109.391 -173.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.3 mt -107.85 24.35 13.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 120.634 1.561 . . . . 0.0 113.31 -166.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -64.35 -19.69 65.63 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.888 1.675 . . . . 0.0 113.145 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 m -105.38 -5.47 20.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.736 1.614 . . . . 0.0 111.037 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -82.26 101.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -92.73 -28.1 16.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -173.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -135.98 152.81 51.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.97 1.308 . . . . 0.0 107.626 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 ttt -147.88 132.57 17.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.01 1.724 . . . . 0.0 108.173 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.28 -179.3 4.32 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.315 0.646 . . . . 0.0 109.535 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -66.24 -6.89 15.29 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.968 -1.082 . . . . 0.0 112.827 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.74 82.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.645 0.778 . . . . 0.0 109.653 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.3 -35.17 77.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 125.268 1.413 . . . . 0.0 110.95 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.02 -58.73 7.29 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.78 -5.49 13.75 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.418 2.437 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 9.1 m -96.59 -16.56 20.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.43 -1.041 . . . . 0.0 110.563 174.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -118.08 -43.32 2.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.737 1.215 . . . . 0.0 110.72 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.6 -27.91 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 123.48 0.712 . . . . 0.0 110.264 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -43.18 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.638 0.775 . . . . 0.0 110.241 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mm -67.39 -22.23 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 124.116 0.966 . . . . 0.0 110.339 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.37 -39.59 70.28 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 119.171 0.896 . . . . 0.0 110.618 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -71.13 -63.95 1.0 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.468 170.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.43 -44.99 12.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.7 1.136 . . . . 0.0 113.607 -171.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.5 44.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.818 1.647 . . . . 0.0 110.781 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -43.09 59.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.503 1.121 . . . . 0.0 111.364 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.4 mt -54.69 -47.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 119.095 0.862 . . . . 0.0 109.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -86.03 -0.75 56.33 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.474 0.654 . . . . 0.0 111.531 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.02 41.17 72.06 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.201 1.381 . . . . 0.0 111.182 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -112.04 152.94 27.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.043 0.921 . . . . 0.0 109.207 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -83.06 -179.85 7.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.649 1.179 . . . . 0.0 109.514 179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -157.82 128.63 6.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.182 -0.949 . . . . 0.0 110.907 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 75.5 mt -145.57 156.14 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 128.25 2.62 . . . . 0.0 105.545 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt -117.77 148.44 42.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 168.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.55 163.43 32.86 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.838 0.855 . . . . 0.0 110.595 171.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.16 64.11 1.3 Allowed 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.8 1.64 . . . . 0.0 114.64 173.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.77 149.54 21.55 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.293 -0.879 . . . . 0.0 110.359 -175.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -79.64 154.31 28.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.23 -31.66 71.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.319 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.0 m -76.74 -19.16 57.97 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.577 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mm -97.74 -38.33 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -46.26 90.96 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -56.76 -38.64 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.554 -1.341 . . . . 0.0 112.15 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.77 -46.69 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -173.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.44 -44.21 96.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -58.61 -53.64 56.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.562 1.074 . . . . 0.0 111.187 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -49.33 -57.03 7.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 127.295 2.238 . . . . 0.0 109.992 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.11 16.26 2.47 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.961 0.904 . . . . 0.0 112.367 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.45 4.58 0.52 Allowed 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 129.494 3.117 . . . . 0.0 114.724 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.64 -35.94 71.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.065 1.302 . . . . 0.0 112.254 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.7 -22.51 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.454 0.57 . . . . 0.0 111.677 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.58 2.09 46.41 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.533 172.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 pt -131.01 -25.11 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.449 1.477 . . . . 0.0 111.866 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -82.45 -175.12 5.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.862 2.065 . . . . 0.0 109.43 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -125.85 128.02 46.98 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 124.666 1.187 . . . . 0.0 107.81 171.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.29 115.66 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 125.047 1.467 . . . . 0.0 107.868 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.65 178.52 4.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.312 1.845 . . . . 0.0 110.389 176.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.02 -42.96 8.0 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 120.707 -1.246 . . . . 0.0 111.121 -169.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 p -121.14 152.25 38.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.08 -15.78 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 121.545 -0.722 . . . . 0.0 111.373 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.08 -35.05 56.85 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.157 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -28.84 65.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 120.127 1.331 . . . . 0.0 110.807 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.507 1.523 . . . . 0.0 110.27 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -151.51 141.37 21.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -175.54 57.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.645 2.378 . . . . 0.0 105.471 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.292 0.1 OUTLIER 62.67 126.91 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.745 2.018 . . . . 0.0 112.62 -173.309 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -153.75 172.79 16.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.858 1.663 . . . . 0.0 108.243 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.61 159.99 19.81 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -38.73 5.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 124.15 0.98 . . . . 0.0 110.99 -165.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 77.6 mt 62.26 116.52 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 127.116 2.166 . . . . 0.0 113.522 165.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.22 91.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 125.89 1.676 . . . . 0.0 107.067 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.65 115.73 7.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.494 -1.379 . . . . 0.0 109.562 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -158.95 0.18 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -63.6 -59.68 4.3 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.301 1.84 . . . . 0.0 111.026 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -135.04 3.65 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 0.0 111.956 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -115.26 135.45 54.14 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 120.552 -1.342 . . . . 0.0 109.664 166.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 110.35 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 117.971 -1.014 . . . . 0.0 108.496 170.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.7 92.68 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 119.466 1.03 . . . . 0.0 108.513 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.3 t -86.69 90.38 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 123.549 1.642 . . . . 0.0 108.146 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 31.5 mtm180 -73.36 120.07 18.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.038 175.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.04 154.76 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -129.74 127.25 40.04 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.703 1.601 . . . . 0.0 109.94 159.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 169.65 14.02 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 107.83 -2.108 . . . . 0.0 107.83 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -69.81 -169.96 0.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 129.736 3.214 . . . . 0.0 109.309 166.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.413 HG21 ' HG3' ' A' ' 57' ' ' MET . 4.9 tp -145.03 96.85 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 120.224 -1.548 . . . . 0.0 110.963 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -133.9 -175.52 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.999 1.32 . . . . 0.0 112.04 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.81 10.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.825 2.05 . . . . 0.0 114.89 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -87.95 -33.11 18.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.896 1.225 . . . . 0.0 109.8 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.05 -15.87 49.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 -2.1 0.21 Allowed 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 170.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -120.19 -35.37 3.47 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.647 -1.168 . . . . 0.0 112.191 156.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.94 -58.37 6.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.487 1.039 . . . . 0.0 109.898 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.3 tt -55.06 -50.73 68.4 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.261 0.937 . . . . 0.0 108.509 175.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -52.65 -42.24 64.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.447 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -76.12 -39.63 54.7 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.363 0.665 . . . . 0.0 110.604 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.17 -43.91 61.4 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.5 mt -84.96 -46.79 10.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 115.862 -2.018 . . . . 0.0 113.086 -172.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -31.37 61.87 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.982 2.628 . . . . 0.0 110.886 175.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -72.76 -53.45 11.57 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.403 1.081 . . . . 0.0 109.382 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -69.55 -41.42 75.92 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.742 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -45.27 -35.27 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.696 1.134 . . . . 0.0 113.124 170.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -46.55 56.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.672 1.124 . . . . 0.0 110.56 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -39.82 92.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.629 -0.701 . . . . 0.0 111.878 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -65.27 134.43 53.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 119.331 -0.947 . . . . 0.0 112.022 -154.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.69 4.99 26.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 128.299 2.64 . . . . 0.0 112.194 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -126.92 155.14 43.53 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 120.468 1.485 . . . . 0.0 108.431 173.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -86.85 -42.48 13.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.399 -1.728 . . . . 0.0 110.009 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -79.75 86.78 5.29 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.942 1.246 . . . . 0.0 111.957 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.83 93.53 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.5 t -83.72 147.62 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.25 150.53 36.04 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -123.0 118.51 27.95 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -115.31 20.8 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.019 1.327 . . . . 0.0 111.212 -168.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -26.24 64.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 126.715 2.006 . . . . 0.0 112.863 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -89.06 -6.55 57.03 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.193 1.397 . . . . 0.0 113.033 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -89.66 103.03 13.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -30.99 22.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.742 1.217 . . . . 0.0 111.361 173.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -135.49 150.24 49.74 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 126.025 1.73 . . . . 0.0 109.603 -173.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.413 ' HG3' HG21 ' A' ' 23' ' ' ILE . 8.2 ttm -139.04 129.45 25.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.348 1.059 . . . . 0.0 108.572 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.92 160.87 23.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.2 m -57.06 2.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 115.258 167.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.78 -10.6 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 120.288 1.404 . . . . 0.0 113.655 167.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -51.54 -61.02 6.71 Favored Glycine 0 C--O 1.204 -1.74 0 CA-C-O 123.957 1.865 . . . . 0.0 109.381 170.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.453 ' H ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -52.14 -38.04 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 118.445 -2.797 . . . . 0.0 114.108 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -71.09 -19.12 77.0 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 24.2 m -72.93 -51.18 19.48 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.226 2.21 . . . . 0.0 107.296 168.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -66.3 -49.95 65.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 123.597 0.759 . . . . 0.0 111.748 -173.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -24.83 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 119.386 0.994 . . . . 0.0 113.432 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.517 1.127 . . . . 0.0 108.673 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -62.66 -32.36 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.48 -40.61 62.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.829 1.195 . . . . 0.0 110.299 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -73.14 -64.25 1.01 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 116.981 -1.485 . . . . 0.0 108.657 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.0 -45.83 0.93 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.721 1.601 . . . . 0.0 112.649 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.94 4.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.081 1.752 . . . . 0.0 110.57 172.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.05 51.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.753 1.621 . . . . 0.0 112.575 175.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.5 mt -56.7 -46.92 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.851 1.26 . . . . 0.0 108.224 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -93.13 10.32 32.18 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.053 1.341 . . . . 0.0 111.72 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.92 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.729 1.157 . . . . 0.0 113.541 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -103.93 167.29 9.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.071 0.935 . . . . 0.0 109.651 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.7 169.51 8.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.453 2.301 . . . . 0.0 109.43 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -151.5 132.53 14.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.336 -0.852 . . . . 0.0 110.372 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -148.57 150.49 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.798 2.039 . . . . 0.0 107.829 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.6 mt -117.17 130.85 56.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.45 1.5 . . . . 0.0 108.262 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.46 160.75 34.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.012 0.525 . . . . 0.0 110.884 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.86 28.07 15.51 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.294 1.437 . . . . 0.0 113.714 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.5 mt -61.62 133.69 55.92 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 120.623 -1.298 . . . . 0.0 108.499 170.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -72.52 159.98 33.04 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-O 121.538 0.685 . . . . 0.0 109.265 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.23 -31.37 67.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.241 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -80.36 -12.9 59.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.893 0.877 . . . . 0.0 112.616 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.75 -36.47 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.971 1.308 . . . . 0.0 108.346 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.9 m -59.41 -49.0 79.49 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -53.75 -36.14 62.03 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.466 -0.772 . . . . 0.0 112.69 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.24 -49.4 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -172.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.1 -45.43 90.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -60.02 -47.72 84.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.142 -1.599 . . . . 0.0 111.823 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.88 -63.12 1.24 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.447 1.899 . . . . 0.0 108.109 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.44 19.99 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.962 1.305 . . . . 0.0 113.404 -178.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.75 30.07 8.39 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.755 2.422 . . . . 0.0 114.299 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -30.6 22.72 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 127.462 2.305 . . . . 0.0 110.773 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -49.67 71.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.066 0.848 . . . . 0.0 108.842 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 4.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.187 1.795 . . . . 0.0 115.744 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 pt -139.26 5.98 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 126.979 2.112 . . . . 0.0 111.463 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.32 -161.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.106 3.363 . . . . 0.0 109.736 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -140.81 126.15 18.71 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.533 1.933 . . . . 0.0 111.789 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -130.49 115.04 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 125.596 1.558 . . . . 0.0 109.893 -171.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -121.46 177.33 5.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.159 1.384 . . . . 0.0 109.879 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -93.7 -53.36 4.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -169.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.1 p -110.25 153.39 24.89 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.94 -26.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.409 -0.807 . . . . 0.0 111.072 169.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -41.8 93.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.547 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.42 -13.57 61.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.682 1.128 . . . . 0.0 113.297 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.296 1.438 . . . . 0.0 110.041 -172.513 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -111.8 165.77 11.77 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.914 1.285 . . . . 0.0 109.045 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -147.9 76.96 1.4 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 -170.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.73 126.06 10.06 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 127.664 2.386 . . . . 0.0 108.837 -167.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -172.0 -170.73 0.78 Allowed 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 125.799 1.64 . . . . 0.0 111.543 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.2 mt -121.35 159.54 25.89 Favored 'General case' 0 N--CA 1.42 -1.935 0 C-N-CA 127.854 2.462 . . . . 0.0 106.973 169.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -103.87 -53.75 2.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.502 1.921 . . . . 0.0 107.379 177.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.0 mt 57.67 129.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 130.455 3.502 . . . . 0.0 113.17 -172.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.3 t -143.21 81.31 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 175.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -57.47 110.84 0.94 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 170.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.9 -164.29 1.11 Allowed 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.54 1.136 . . . . 0.0 108.339 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -58.2 -61.84 2.27 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.281 2.232 . . . . 0.0 113.216 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -129.35 7.35 5.37 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.621 1.568 . . . . 0.0 110.704 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -140.81 137.41 33.29 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 129.0 2.92 . . . . 0.0 106.532 -164.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 109.12 20.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 77.1 mt -80.21 112.85 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 176.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 66.3 t -99.08 85.04 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 163.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp85 -61.5 127.47 31.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 166.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -88.82 159.31 2.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 171.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -124.57 147.45 48.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.04 0.936 . . . . 0.0 112.061 154.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.07 153.08 29.0 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 124.417 1.008 . . . . 0.0 112.17 173.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.07 166.9 1.4 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 111.871 164.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 tt -138.69 96.88 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.804 2.042 . . . . 0.0 110.101 -151.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -148.48 -165.96 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.103 1.361 . . . . 0.0 111.083 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.63 -28.56 5.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.619 1.568 . . . . 0.0 113.332 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.66 -44.38 70.63 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.488 1.115 . . . . 0.0 109.404 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.36 -13.47 46.37 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.513 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -61.04 -4.38 1.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 p -120.62 -37.36 3.02 Favored 'General case' 0 C--O 1.227 -0.105 0 O-C-N 120.343 -1.473 . . . . 0.0 112.706 150.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -57.0 -65.22 0.66 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.332 0.653 . . . . 0.0 110.723 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 tt -53.38 -47.78 69.19 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.828 0.74 . . . . 0.0 110.558 174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -50.94 -43.92 60.31 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.022 0.929 . . . . 0.0 110.355 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.77 -45.62 64.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -57.75 -14.37 5.66 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 124.734 1.214 . . . . 0.0 113.238 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 56.8 mt -105.07 -49.98 3.35 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-O 115.292 -2.289 . . . . 0.0 112.095 171.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.19 -33.98 77.05 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 123.819 3.009 . . . . 0.0 111.519 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -72.41 -38.5 68.37 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.113 0.965 . . . . 0.0 108.977 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.79 -52.06 34.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.607 -1.187 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.68 -37.36 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.596 1.089 . . . . 0.0 112.629 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -58.76 -47.94 82.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.091 1.356 . . . . 0.0 110.106 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -64.51 -54.81 26.4 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.861 0.865 . . . . 0.0 111.202 171.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.31 118.12 4.13 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.043 1.737 . . . . 0.0 112.076 -147.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 t -58.18 -47.77 82.39 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.612 1.565 . . . . 0.0 108.768 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.24 132.21 34.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -163.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -69.87 -52.41 25.08 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.051 -174.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -73.65 97.78 2.73 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 117.162 -1.399 . . . . 0.0 111.87 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -85.86 99.89 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -92.0 140.7 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.78 99.25 4.12 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.217 1.371 . . . . 0.0 112.967 -166.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.55 139.49 36.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.581 1.952 . . . . 0.0 110.891 -169.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 93.4 mt -131.46 19.49 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.35 -11.91 58.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.704 -1.247 . . . . 0.0 113.889 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -88.49 -7.54 56.36 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 119.955 -1.716 . . . . 0.0 110.83 174.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.0 t -107.75 97.62 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 120.531 -1.356 . . . . 0.0 108.416 -158.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.99 -9.92 23.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -138.06 155.11 49.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.7 ttt -154.51 127.01 7.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.33 175.63 8.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.435 1.112 . . . . 0.0 108.151 167.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -32.97 4.15 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 127.86 2.464 . . . . 0.0 111.596 160.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.81 63.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.84 8.41 Favored Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 126.195 1.855 . . . . 0.0 113.241 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -48.47 70.39 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -174.34 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -19.51 23.71 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.301 1.905 . . . . 0.0 112.839 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -95.31 -5.5 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.806 1.303 . . . . 0.0 110.154 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.85 -43.9 3.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.913 1.285 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.92 -29.36 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.632 -0.668 . . . . 0.0 111.944 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.59 -37.28 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.054 -1.029 . . . . 0.0 110.744 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.72 -26.91 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.253 -0.905 . . . . 0.0 109.539 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.37 -32.4 68.54 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.902 -0.498 . . . . 0.0 110.375 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -71.14 -61.65 1.69 Allowed 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 117.082 -1.437 . . . . 0.0 109.625 168.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.95 -44.7 3.55 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.738 1.608 . . . . 0.0 114.043 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -61.0 2.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.25 1.82 . . . . 0.0 108.84 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.424 -1.274 . . . . 0.0 112.15 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.35 -43.36 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.89 1.223 . . . . 0.0 109.082 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 9.78 39.8 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.289 1.036 . . . . 0.0 112.22 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.34 17.55 78.93 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.186 1.374 . . . . 0.0 112.57 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -92.15 160.18 15.31 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -176.64 3.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 110.852 -174.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -159.08 126.17 4.76 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.259 -0.901 . . . . 0.0 110.284 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.0 mt -143.38 137.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.987 2.115 . . . . 0.0 105.619 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.85 153.49 18.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.29 172.77 12.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.87 35.56 12.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.618 1.567 . . . . 0.0 112.193 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.9 mt -68.56 120.21 14.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.687 -0.633 . . . . 0.0 110.432 -176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -55.9 149.34 15.19 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.486 170.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.9 -33.17 74.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.465 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 m -62.45 -22.4 66.18 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.286 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mm -112.55 -34.53 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 125.227 1.411 . . . . 0.0 108.841 -171.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -56.81 -52.34 65.45 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -55.09 -38.58 68.3 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.88 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.61 -48.55 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.32 -45.32 91.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -60.69 -51.69 68.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 O-C-N 121.165 -0.959 . . . . 0.0 111.16 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.5 mt -46.44 -57.34 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.353 2.661 . . . . 0.0 110.039 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.272 36.2 m -78.33 13.96 1.37 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.3 m80 54.78 37.68 28.86 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 125.995 1.718 . . . . 0.0 111.715 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.01 -33.18 10.6 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.869 2.068 . . . . 0.0 109.804 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -40.28 94.29 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.681 0.673 . . . . 0.0 110.184 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -8.97 29.55 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.37 1.468 . . . . 0.0 114.354 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.2 pt -125.09 2.44 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.121 -174.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -118.19 -169.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 129.855 3.262 . . . . 0.0 107.589 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.2 tttt -131.4 137.92 48.88 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 168.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mp -128.15 142.64 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -174.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 p -144.45 -177.81 5.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 127.102 2.161 . . . . 0.0 108.577 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.66 -53.29 2.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 126.194 1.798 . . . . 0.0 108.669 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 p -114.96 143.18 45.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.78 -32.04 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -19.25 63.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.396 1.878 . . . . 0.0 113.386 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -9.53 49.95 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.08 1.352 . . . . 0.0 113.482 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 126.584 1.953 . . . . 0.0 112.749 -173.632 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -123.86 -45.31 2.03 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.272 1.029 . . . . 0.0 110.4 -167.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.0 t30 56.39 49.27 15.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.56 1.944 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 65.28 130.08 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 130.187 3.395 . . . . 0.0 113.251 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -159.8 173.13 16.45 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 125.688 1.595 . . . . 0.0 108.604 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.468 ' H ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.96 167.78 9.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.734 1.613 . . . . 0.0 108.102 175.245 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.16 -24.98 4.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.985 0.914 . . . . 0.0 111.761 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mt 41.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 130.851 3.66 . . . . 0.0 116.606 164.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.61 89.73 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 127.448 2.299 . . . . 0.0 108.627 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.93 112.86 1.63 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.288 -1.507 . . . . 0.0 107.976 171.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -80.04 -155.65 0.11 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.179 0.992 . . . . 0.0 108.553 172.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.87 -43.47 58.48 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.594 -1.317 . . . . 0.0 112.067 -175.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -130.2 -18.32 3.3 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.998 0.919 . . . . 0.0 111.76 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -105.49 150.47 25.29 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 121.208 -0.932 . . . . 0.0 110.204 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.8 106.98 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 46.4 mt -78.89 87.01 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.3 78.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.4 mtt180 -54.45 133.76 45.79 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 163.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.11 145.59 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 119.208 0.913 . . . . 0.0 108.584 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -130.82 138.59 49.95 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.167 0.987 . . . . 0.0 109.817 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.0 147.56 20.76 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.799 1.666 . . . . 0.0 111.018 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -53.78 155.5 3.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.468 1.907 . . . . 0.0 112.455 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -108.65 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.323 1.449 . . . . 0.0 109.524 -170.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -139.52 -164.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.49 1.116 . . . . 0.0 112.416 -173.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.8 -30.96 6.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.936 1.294 . . . . 0.0 113.198 172.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -64.59 -34.63 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.855 1.207 . . . . 0.0 109.547 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -13.77 19.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.494 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 38.2 t -43.73 -24.23 0.12 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.283 1.833 . . . . 0.0 115.134 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 p -121.68 -26.19 4.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.426 162.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.94 -65.38 0.69 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.479 1.036 . . . . 0.0 109.474 -171.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.93 -45.59 78.72 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 124.578 1.151 . . . . 0.0 109.803 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -51.84 -44.25 63.51 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.041 -177.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 -47.37 71.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 110.389 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -56.21 -18.76 11.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 125.129 1.372 . . . . 0.0 112.278 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.2 mt -106.37 -48.57 3.53 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-O 115.012 -2.423 . . . . 0.0 111.297 179.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -57.22 -33.1 67.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 124.019 3.1 . . . . 0.0 110.834 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.4 -48.71 63.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.81 1.244 . . . . 0.0 109.054 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -71.5 -47.09 57.62 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.842 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.1 mp -44.09 -40.62 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 120.348 1.431 . . . . 0.0 112.046 169.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.38 -42.75 98.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.724 0.693 . . . . 0.0 110.486 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -72.11 -49.13 38.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.834 0.853 . . . . 0.0 112.711 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -57.56 126.5 27.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 123.168 1.461 . . . . 0.0 112.847 -147.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -77.79 -7.59 56.81 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 126.101 1.76 . . . . 0.0 112.648 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -124.97 108.18 11.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -169.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.23 -25.25 66.01 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.127 0.876 . . . . 0.0 112.37 -163.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -86.47 87.28 7.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 118.833 0.742 . . . . 0.0 109.647 -166.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.2 mm -82.23 99.55 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -170.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.8 t -96.64 127.46 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.34 99.22 7.84 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.987 1.315 . . . . 0.0 109.157 -172.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -73.81 130.03 39.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.408 1.083 . . . . 0.0 108.475 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.5 mt -121.5 14.96 11.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 118.509 0.595 . . . . 0.0 112.183 -174.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -44.09 -36.19 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.117 2.167 . . . . 0.0 113.669 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -101.6 16.37 25.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 119.434 1.016 . . . . 0.0 112.501 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.564 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 14.2 t -103.35 153.44 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 104.254 -2.498 . . . . 0.0 104.254 166.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.88 -20.09 0.09 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 120.199 1.363 . . . . 0.0 112.572 171.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.08 146.08 38.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.111 1.364 . . . . 0.0 107.526 166.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.7 ttt -150.55 156.41 41.35 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.089 1.756 . . . . 0.0 107.142 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -150.83 -168.57 3.14 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.659 1.984 . . . . 0.0 108.812 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -22.81 66.92 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.67 -41.99 43.44 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.55 -59.92 6.8 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 123.821 0.724 . . . . 0.0 113.612 166.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -45.35 94.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.329 0.652 . . . . 0.0 109.326 -171.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.5 -14.18 48.11 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.502 1.525 . . . . 0.0 112.983 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 56.4 m -103.5 -4.03 24.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.196 1.799 . . . . 0.0 110.779 -174.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.73 -42.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.777 1.231 . . . . 0.0 109.189 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.84 -29.01 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.579 1.151 . . . . 0.0 110.806 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.65 -40.71 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.79 1.636 . . . . 0.0 111.484 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.6 -32.23 48.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.096 -165.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.5 -40.23 78.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.521 1.509 . . . . 0.0 110.593 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -65.47 -67.91 0.4 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.06 -41.8 2.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.463 2.305 . . . . 0.0 112.811 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -61.4 2.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.369 2.267 . . . . 0.0 111.181 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -36.93 63.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.209 1.368 . . . . 0.0 111.616 176.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.38 -31.85 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.964 1.705 . . . . 0.0 109.509 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.09 6.82 43.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.79 40.16 64.93 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.73 1.157 . . . . 0.0 112.682 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -118.36 166.85 12.14 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.035 1.334 . . . . 0.0 109.879 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -98.1 -172.65 2.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.639 1.575 . . . . 0.0 111.399 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -167.91 118.81 0.83 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.13 152.57 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 127.124 2.17 . . . . 0.0 106.871 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.3 mt -117.77 139.51 50.96 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 119.727 1.149 . . . . 0.0 108.286 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.66 172.48 12.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.712 0.805 . . . . 0.0 111.577 172.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t 49.81 40.8 21.25 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 126.614 1.966 . . . . 0.0 110.689 -171.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 53.6 mt -74.35 162.83 28.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.59 -1.319 . . . . 0.0 109.709 169.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.564 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 18.8 mtmm -133.05 156.29 47.65 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -164.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.19 -23.81 67.6 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.49 0.494 . . . . 0.0 110.107 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 -21.54 60.95 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.9 mm -122.23 -34.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 C-N-CA 124.614 1.166 . . . . 0.0 109.992 -168.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -60.62 -44.31 96.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -55.87 -38.71 70.51 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 170.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.95 -47.6 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -34.29 78.08 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.23 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -64.58 -51.13 64.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 120.398 1.454 . . . . 0.0 111.1 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.62 -52.45 17.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.029 2.532 . . . . 0.0 110.337 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -88.53 13.05 12.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.935 0.894 . . . . 0.0 112.677 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 49.95 34.88 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.142 1.777 . . . . 0.0 112.333 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.461 HD23 ' CZ ' ' A' ' 101' ' ' PHE . 0.5 OUTLIER -77.23 -37.22 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.26 168.862 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.94 -30.52 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.717 -0.614 . . . . 0.0 111.492 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 8.7 ptmt -74.23 -5.18 40.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 114.139 176.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 23.5 pt -135.34 8.29 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.427 1.491 . . . . 0.0 111.34 -172.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.461 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -124.54 -168.63 1.84 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 129.789 3.236 . . . . 0.0 107.444 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -132.8 145.12 50.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 121.61 -0.682 . . . . 0.0 109.818 160.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.3 mp -127.77 128.45 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 p -126.19 178.69 5.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.825 2.45 . . . . 0.0 108.688 170.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.78 -76.5 0.57 Allowed 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 102.11 -3.293 . . . . 0.0 102.11 -171.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 p -94.37 143.99 25.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.0 t -57.51 -26.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 124.486 1.115 . . . . 0.0 110.542 176.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.46 -39.96 89.47 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.576 -0.702 . . . . 0.0 112.716 169.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 -15.59 59.3 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.276 1.43 . . . . 0.0 113.072 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 126.183 1.793 . . . . 0.0 108.845 173.992 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 mtt . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -96.9 145.22 26.09 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 140.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -151.33 38.98 0.65 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.887 1.221 . . . . 0.0 112.003 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 69.72 138.19 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.255 1.822 . . . . 0.0 110.668 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -178.65 -175.51 0.43 Allowed 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 127.225 2.21 . . . . 0.0 111.213 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -175.26 4.12 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 167.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 -45.37 2.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.932 -1.105 . . . . 0.0 111.21 167.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt 63.15 126.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 130.273 3.429 . . . . 0.0 113.041 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -135.54 91.37 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 127.694 2.398 . . . . 0.0 105.709 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.8 109.83 3.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.332 -1.48 . . . . 0.0 108.161 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -153.95 0.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.628 1.171 . . . . 0.0 109.482 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -82.89 -34.82 26.59 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 111.873 -168.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -144.95 7.29 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.681 0.792 . . . . 0.0 111.052 170.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' CB ' ' HB3' ' A' ' 46' ' ' LYS . 14.1 ptmt -132.61 146.38 51.85 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.4 -1.437 . . . . 0.0 109.654 -173.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 110.9 22.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.873 0.76 . . . . 0.0 108.981 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 69.2 mt -81.7 84.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.65 88.38 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 O-C-N 119.93 -1.731 . . . . 0.0 107.241 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 mtp180 -71.31 133.16 45.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.2 t -104.64 144.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -131.78 128.63 39.21 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 108.695 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 146.54 12.57 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -71.94 156.35 39.36 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 126.356 1.862 . . . . 0.0 112.063 176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.9 tt -117.05 120.55 65.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.718 0.77 . . . . 0.0 111.126 -151.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -147.78 -175.46 4.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.908 1.283 . . . . 0.0 110.966 -164.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 -2.99 4.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.358 1.863 . . . . 0.0 115.024 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -95.96 -36.82 10.92 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 109.082 167.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -76.46 -15.58 59.87 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.475 1.11 . . . . 0.0 109.155 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.441 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 89.0 p -63.05 -9.58 10.86 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -120.38 -25.96 5.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.696 167.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -73.74 0.12 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 120.226 1.375 . . . . 0.0 109.204 175.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.77 -33.23 64.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 121.883 2.129 . . . . 0.0 111.969 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HE3' ' O ' ' A' ' 28' ' ' SER . 32.6 ttmt -57.62 -56.16 25.47 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.306 172.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.76 -44.19 90.86 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -64.39 -30.81 71.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.153 0.981 . . . . 0.0 108.698 -170.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.82 -42.63 13.11 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 114.659 -2.591 . . . . 0.0 112.362 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -56.39 -36.93 69.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 123.926 3.057 . . . . 0.0 110.259 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.43 -41.62 55.46 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -70.24 -43.33 70.81 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.601 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.51 -24.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 119.667 1.122 . . . . 0.0 112.732 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -41.15 27.46 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.231 1.378 . . . . 0.0 109.827 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -54.29 -51.32 64.98 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.266 0.939 . . . . 0.0 110.519 166.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 t -53.72 108.96 0.4 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.348 1.459 . . . . 0.0 110.676 -155.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 m -64.23 -49.17 72.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 162.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.05 110.78 22.15 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.198 0.599 . . . . 0.0 110.372 -157.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -71.94 -26.51 62.31 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -153.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HB3' ' CB ' ' A' ' 14' ' ' LYS . 42.3 tttt -78.45 92.44 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.833 -172.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -85.4 98.81 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -169.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -95.43 129.15 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 125.772 1.629 . . . . 0.0 108.862 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.87 100.52 7.83 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.1 0.96 . . . . 0.0 111.257 -172.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -81.81 113.83 20.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.318 1.847 . . . . 0.0 110.398 -174.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -100.75 23.49 10.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.673 1.579 . . . . 0.0 113.709 -176.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 p -60.25 -30.69 69.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.981 0.809 . . . . 0.0 111.134 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.72 -3.4 58.55 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.55 1.54 . . . . 0.0 112.449 -176.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 8.0 t -109.67 85.33 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -162.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 m -80.8 -12.31 59.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.92 1.688 . . . . 0.0 114.646 -166.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -138.55 164.01 30.55 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.751 2.42 . . . . 0.0 107.183 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ttt -158.59 121.24 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.75 172.2 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -56.88 -18.95 15.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.349 1.06 . . . . 0.0 112.198 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.1 70.75 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.59 0.756 . . . . 0.0 110.28 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.29 -49.73 55.27 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.071 0.843 . . . . 0.0 111.915 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -46.12 76.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 O-C-N 121.544 -0.974 . . . . 0.0 109.513 -171.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.3 -14.6 34.31 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.099 -0.834 . . . . 0.0 113.792 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 49.4 m -95.27 -22.31 17.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.887 1.275 . . . . 0.0 110.225 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.86 -41.83 9.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 119.157 0.89 . . . . 0.0 110.607 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.04 -32.77 55.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.553 0.741 . . . . 0.0 111.366 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.76 -33.92 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.093 0.957 . . . . 0.0 111.839 174.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.3 mm -68.99 -21.5 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.505 0.722 . . . . 0.0 110.499 -176.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -48.94 -53.12 21.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.632 1.106 . . . . 0.0 108.812 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -72.56 -42.56 64.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 116.574 -1.679 . . . . 0.0 111.18 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -59.78 -35.56 74.9 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 121.959 2.163 . . . . 0.0 111.371 -175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.87 72.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.071 1.349 . . . . 0.0 108.725 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -51.42 -37.53 48.96 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.035 0.934 . . . . 0.0 111.538 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.5 mm -57.65 -41.47 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 118.35 -0.833 . . . . 0.0 109.944 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -93.88 9.72 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.966 1.257 . . . . 0.0 112.695 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.3 43.99 98.65 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.709 1.623 . . . . 0.0 111.835 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -112.86 166.57 11.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.577 1.151 . . . . 0.0 110.567 -176.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -172.8 2.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.394 1.478 . . . . 0.0 110.533 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -168.58 125.25 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.142 1.377 . . . . 0.0 108.43 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.5 mt -144.72 153.6 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 127.236 2.214 . . . . 0.0 106.045 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.31 153.29 31.23 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 p -143.7 165.69 26.95 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.246 1.018 . . . . 0.0 112.806 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.11 34.48 4.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.878 2.071 . . . . 0.0 113.143 173.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.84 130.74 43.66 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.079 -1.013 . . . . 0.0 109.395 -174.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -63.04 149.09 45.9 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.822 0.82 . . . . 0.0 109.458 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -71.87 -21.59 61.64 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.679 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 t -70.93 -14.38 62.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.136 1.774 . . . . 0.0 112.377 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.75 -38.39 2.06 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.078 0 C-N-CA 126.151 1.781 . . . . 0.0 107.788 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -60.33 -43.84 96.03 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -55.4 -40.23 71.15 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.824 -1.172 . . . . 0.0 112.41 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.07 -50.33 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 -171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.4 -46.34 86.58 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -59.44 -49.06 79.27 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 120.899 -1.125 . . . . 0.0 111.568 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.55 -56.26 23.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.767 2.427 . . . . 0.0 109.879 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -77.01 10.35 2.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.68 0.792 . . . . 0.0 112.286 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 65.55 16.41 10.5 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 127.406 2.282 . . . . 0.0 113.566 174.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.26 -31.67 64.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.706 2.002 . . . . 0.0 110.918 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -36.69 71.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.948 1.249 . . . . 0.0 110.491 -175.283 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -3.48 4.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.4 pt -131.99 4.86 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.962 1.705 . . . . 0.0 111.501 -172.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.69 -173.5 2.8 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 127.589 2.356 . . . . 0.0 107.868 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -122.37 140.22 52.93 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 123.646 0.778 . . . . 0.0 111.263 161.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.54 145.85 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -178.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.3 p -135.95 -167.51 2.05 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.939 1.295 . . . . 0.0 110.377 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -117.88 -45.54 2.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 127.643 2.377 . . . . 0.0 107.348 -168.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -119.63 148.12 43.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.933 1.293 . . . . 0.0 108.872 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 5.1 t -56.68 -27.81 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.855 1.262 . . . . 0.0 110.175 173.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -55.99 -49.0 74.82 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.439 1.096 . . . . 0.0 110.456 173.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -20.89 63.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.798 1.239 . . . . 0.0 111.816 -173.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 CA-C-O 116.813 -1.565 . . . . 0.0 109.494 -177.447 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -127.42 140.92 51.85 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 t30 143.73 94.94 0.0 OUTLIER 'General case' 0 C--O 1.236 0.392 0 C-N-CA 131.19 3.796 . . . . 0.0 102.583 -158.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -53.53 146.56 12.61 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.483 1.113 . . . . 0.0 108.687 163.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mttt 154.52 -171.16 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.576 3.55 . . . . 0.0 110.206 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.473 HD23 ' H ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -121.86 164.61 17.23 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 127.062 2.145 . . . . 0.0 109.416 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.23 -53.63 2.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.243 1.017 . . . . 0.0 109.826 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.3 mt 67.98 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 131.595 3.958 . . . . 0.0 114.518 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.3 t -143.39 100.08 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.138 2.175 . . . . 0.0 108.217 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.06 101.53 2.24 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.831 -1.168 . . . . 0.0 108.958 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -79.77 -157.85 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.034 1.334 . . . . 0.0 108.543 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.75 -51.02 60.68 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.666 -1.272 . . . . 0.0 110.882 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -138.13 -3.37 1.78 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.97 143.94 39.22 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 120.535 -1.353 . . . . 0.0 107.41 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.97 108.26 20.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 169.107 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 61.6 mt -77.61 98.45 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -177.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.19 84.49 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.719 1.247 . . . . 0.0 107.713 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtm180 -70.31 127.58 33.25 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 77.6 t -90.23 162.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 174.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.21 162.09 28.64 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.3 1.84 . . . . 0.0 109.748 163.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.59 152.2 10.75 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 124.538 1.066 . . . . 0.0 112.048 170.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -53.76 124.98 16.79 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.558 1.143 . . . . 0.0 109.51 159.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.427 ' CG1' HD22 ' A' ' 27' ' ' ASN . 0.6 OUTLIER -75.71 112.95 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.263 1.425 . . . . 0.0 108.266 -176.153 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -138.95 176.3 8.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.33 1.062 . . . . 0.0 112.702 -167.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -21.56 34.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.758 1.223 . . . . 0.0 112.706 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -35.88 63.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.402 1.081 . . . . 0.0 108.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.427 HD22 ' CG1' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -84.49 -12.59 53.97 Favored 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 121.732 -0.605 . . . . 0.0 111.137 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -60.74 -6.69 1.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.363 1.039 . . . . 0.0 112.763 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -33.1 4.08 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 120.725 -1.234 . . . . 0.0 112.325 159.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.02 -60.53 3.49 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.521 0.6 . . . . 0.0 110.477 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -54.9 -49.36 71.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 126.298 1.839 . . . . 0.0 111.518 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -51.57 -39.85 58.63 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.94 -53.14 12.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.843 1.257 . . . . 0.0 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -61.42 0.86 0.25 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 127.331 2.253 . . . . 0.0 112.644 -178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.0 -47.47 2.39 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 115.001 -2.428 . . . . 0.0 113.451 168.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -60.02 -41.0 91.25 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 124.568 3.349 . . . . 0.0 111.021 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -73.96 -39.86 63.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -64.65 -49.61 70.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.047 1.339 . . . . 0.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.34 -32.34 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.428 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -62.64 -55.87 23.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -44.91 93.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.122 0.569 . . . . 0.0 111.814 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.8 t -57.07 123.99 17.17 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.139 0.427 . . . . 0.0 110.173 -151.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -71.64 -20.92 61.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.921 -0.487 . . . . 0.0 110.466 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -107.37 137.92 44.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 119.257 0.935 . . . . 0.0 110.072 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.35 -34.76 36.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.711 -1.131 . . . . 0.0 113.205 -165.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -87.04 94.82 9.73 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.287 0.494 . . . . 0.0 110.425 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -81.98 102.9 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.57 114.76 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -91.02 126.9 36.24 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 117.099 -1.429 . . . . 0.0 109.124 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' HA ' ' OG ' ' A' ' 82' ' ' SER . 31.0 t0 -100.85 120.08 39.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 129.86 3.264 . . . . 0.0 110.117 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.41 19.72 16.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.243 1.017 . . . . 0.0 112.808 -172.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -53.67 -38.37 64.09 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.41 0.684 . . . . 0.0 112.384 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -85.4 0.91 50.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.684 1.594 . . . . 0.0 112.791 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.2 t -98.34 96.82 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 119.562 1.074 . . . . 0.0 108.729 -168.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -78.48 -34.88 47.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.043 1.337 . . . . 0.0 113.672 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -136.21 158.71 43.76 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.458 1.503 . . . . 0.0 108.21 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.3 ttt -142.35 122.87 14.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.948 1.299 . . . . 0.0 110.012 175.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.77 170.44 15.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.483 0.659 . . . . 0.0 110.494 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.8 p -51.7 -29.46 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.647 1.579 . . . . 0.0 112.308 166.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.58 78.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.64 -54.08 40.09 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.425 2.441 . . . . 0.0 111.122 -173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.21 -38.56 60.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -174.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.54 -16.79 59.11 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.046 -0.863 . . . . 0.0 112.827 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -90.22 -50.09 6.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.9 -33.05 71.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.002 -1.061 . . . . 0.0 112.251 -171.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.9 -26.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.131 -0.981 . . . . 0.0 111.679 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.89 -39.36 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.368 1.067 . . . . 0.0 108.476 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.31 -37.77 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 123.288 0.635 . . . . 0.0 110.453 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.83 -44.39 63.55 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.385 0.538 . . . . 0.0 110.241 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -67.49 -63.52 1.04 Allowed 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.433 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.56 -45.86 1.66 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.416 1.886 . . . . 0.0 112.202 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.26 -64.09 0.98 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.976 0.91 . . . . 0.0 109.213 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.22 -37.61 64.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.729 1.212 . . . . 0.0 113.19 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.76 -41.37 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 125.981 1.713 . . . . 0.0 108.545 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -6.97 57.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.635 1.174 . . . . 0.0 112.022 177.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.3 22.73 43.2 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.832 1.682 . . . . 0.0 114.699 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -108.3 164.42 12.33 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.19 1.495 . . . . 0.0 110.933 -175.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -91.59 175.1 7.03 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 110.699 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -158.63 128.17 5.71 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.125 -0.984 . . . . 0.0 110.608 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.9 mt -146.5 153.65 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.833 2.453 . . . . 0.0 106.815 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.04 143.48 45.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.08 2.152 . . . . 0.0 107.423 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.423 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 90.1 p -129.36 158.81 38.1 Favored 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.714 2.006 . . . . 0.0 110.058 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m 55.89 22.84 5.99 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.221 1.564 . . . . 0.0 115.221 168.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.4 mt -58.41 129.14 40.62 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 125.692 1.597 . . . . 0.0 109.68 177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -64.26 161.8 15.92 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.665 0.745 . . . . 0.0 109.705 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.29 -37.65 88.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.83 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -12.41 61.15 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.762 -173.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -104.99 -39.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -63.12 -45.53 91.56 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -57.22 -37.12 71.76 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.284 -0.885 . . . . 0.0 111.873 173.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -50.8 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 -176.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.19 -52.44 64.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.05 -46.13 71.85 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.953 0.901 . . . . 0.0 111.311 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -54.15 -56.83 14.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.276 1.03 . . . . 0.0 108.736 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 p -68.96 9.59 0.38 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 57.12 19.29 4.67 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 112.366 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.18 -29.24 61.67 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.132 1.373 . . . . 0.0 110.168 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -31.18 71.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.498 1.045 . . . . 0.0 111.367 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -72.95 0.22 11.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.785 -1.102 . . . . 0.0 113.402 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 17.6 pt -136.45 -5.58 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 119.788 1.177 . . . . 0.0 112.163 -172.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -114.28 -170.65 1.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.706 2.402 . . . . 0.0 108.665 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -136.09 128.27 29.88 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 121.369 -0.832 . . . . 0.0 108.8 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 5.0 mp -127.5 117.43 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -169.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . 0.25 1.5 p -128.82 174.78 9.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 124.832 1.253 . . . . 0.0 108.431 171.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.18 -63.82 1.13 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -164.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 50.9 p -93.42 137.86 32.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.67 -28.15 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.906 0.883 . . . . 0.0 110.072 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.2 -51.47 67.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.493 1.517 . . . . 0.0 113.348 169.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.99 -16.86 64.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.813 1.188 . . . . 0.0 111.996 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.081 0.952 . . . . 0.0 109.794 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 67.12 -35.31 0.25 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.383 2.273 . . . . 0.0 112.435 -170.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 m120 57.25 35.16 25.8 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 128.237 2.615 . . . . 0.0 112.904 157.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.282 0.2 OUTLIER 54.15 104.08 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.705 2.802 . . . . 0.0 112.611 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -143.79 150.97 39.35 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.309 1.043 . . . . 0.0 109.79 172.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.29 167.8 17.29 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.403 164.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.2 -45.75 2.93 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.163 0.915 . . . . 0.0 111.619 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 98.3 mt 64.24 129.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 131.302 3.841 . . . . 0.0 114.299 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.85 91.89 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 128.03 2.532 . . . . 0.0 105.694 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.21 102.35 1.67 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -160.24 0.22 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.8 -48.99 67.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 120.87 -1.144 . . . . 0.0 109.594 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -143.53 8.8 1.57 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -114.44 149.85 35.63 Favored 'General case' 0 C--N 1.34 0.177 0 O-C-N 120.101 -1.624 . . . . 0.0 108.21 165.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.81 107.43 18.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.48 91.98 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.9 t -84.72 86.27 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 120.147 -1.596 . . . . 0.0 107.575 173.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -66.02 127.56 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 167.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 t -99.37 145.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -129.25 150.36 50.66 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.23 0.612 . . . . 0.0 109.494 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.25 164.77 33.59 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.15 145.38 37.75 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.604 1.162 . . . . 0.0 107.916 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.2 tp -91.73 77.55 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 122.833 1.301 . . . . 0.0 108.55 -172.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -109.46 -177.27 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.939 1.296 . . . . 0.0 112.981 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.2 -9.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.115 2.166 . . . . 0.0 114.804 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -86.01 -32.97 21.19 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 120.693 1.588 . . . . 0.0 109.068 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -19.38 59.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -44.68 -27.5 0.5 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 125.576 1.798 . . . . 0.0 113.018 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 p -120.87 -31.72 4.14 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.793 162.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.62 -67.19 0.38 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.373 0.988 . . . . 0.0 110.651 -169.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.74 -46.33 74.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.785 1.634 . . . . 0.0 109.307 177.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -48.59 60.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.995 0.809 . . . . 0.0 109.346 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.94 -50.77 72.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.251 1.42 . . . . 0.0 111.215 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -61.02 -11.17 7.35 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.855 0.862 . . . . 0.0 112.999 -177.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 37.3 mt -114.14 -40.63 3.66 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.165 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -55.72 -44.63 77.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 124.162 3.165 . . . . 0.0 109.42 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -74.03 -36.22 64.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -174.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -73.33 -48.14 36.78 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.264 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 21.2 mt -56.34 -32.64 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 120.656 1.571 . . . . 0.0 112.212 174.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -74.36 -14.21 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 111.921 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.2 m -97.07 -47.15 5.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.413 1.885 . . . . 0.0 110.957 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.2 t -63.38 142.01 58.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.586 1.184 . . . . 0.0 112.382 -147.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.03 -3.45 58.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 127.02 2.128 . . . . 0.0 112.58 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.4 mmtt -117.81 145.31 44.64 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.924 1.238 . . . . 0.0 109.522 -177.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -86.24 -36.58 19.32 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.968 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.03 93.44 2.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 121.546 1.976 . . . . 0.0 111.435 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -81.47 103.41 8.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 122.053 2.206 . . . . 0.0 105.445 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 t -101.02 133.67 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.063 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -105.66 146.87 29.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -125.76 115.23 19.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.177 1.391 . . . . 0.0 110.157 177.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.41 20.89 15.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.398 1.079 . . . . 0.0 111.731 -163.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.32 62.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.358 1.063 . . . . 0.0 113.063 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -84.03 -12.11 55.69 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.095 0.958 . . . . 0.0 112.753 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.21 105.0 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 -19.65 19.8 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 112.32 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -137.63 150.27 47.26 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.808 1.643 . . . . 0.0 109.466 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.7 ttt -139.78 140.61 36.72 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 126.359 1.864 . . . . 0.0 108.399 172.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.48 ' CG ' ' H ' ' A' ' 59' ' ' SER . 31.5 t70 -117.43 -179.83 3.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.516 1.127 . . . . 0.0 109.132 168.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.48 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 51.1 m -71.53 -12.13 61.22 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.356 1.862 . . . . 0.0 113.661 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -52.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -24.47 -66.57 0.04 OUTLIER Glycine 0 C--O 1.225 -0.448 0 C-N-CA 130.282 3.801 . . . . 0.0 112.812 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.502 ' H ' HD21 ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.49 -39.82 73.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.185 0.994 . . . . 0.0 111.648 -171.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.27 -13.83 63.09 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.8 1.19 . . . . 0.0 113.085 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -101.82 -7.75 22.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.341 1.456 . . . . 0.0 108.835 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -107.74 -42.86 4.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.418 1.087 . . . . 0.0 111.095 173.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.36 -34.04 49.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 120.246 1.385 . . . . 0.0 110.77 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.61 -35.19 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.775 0.83 . . . . 0.0 110.636 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.07 -23.86 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.532 1.133 . . . . 0.0 110.698 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.0 -49.35 77.13 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.671 1.578 . . . . 0.0 108.25 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -58.26 -64.09 1.04 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 117.306 -1.331 . . . . 0.0 108.496 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -38.69 28.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.834 1.197 . . . . 0.0 113.436 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -55.37 20.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.692 1.197 . . . . 0.0 110.422 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -35.73 54.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.95 1.3 . . . . 0.0 111.603 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.28 -56.31 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 119.781 1.173 . . . . 0.0 107.983 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.64 5.92 29.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.69 0.757 . . . . 0.0 111.631 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.69 45.71 92.02 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 125.872 1.701 . . . . 0.0 111.603 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -101.3 156.53 17.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.836 0.854 . . . . 0.0 109.353 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -83.42 176.31 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.788 0.804 . . . . 0.0 109.017 163.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -150.69 129.74 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 127.615 2.366 . . . . 0.0 105.86 -179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.3 mt -146.94 150.3 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.8 mt -120.35 124.23 45.03 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.784 1.234 . . . . 0.0 109.388 179.192 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 161.09 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.191 0.996 . . . . 0.0 111.179 -177.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t 53.9 29.75 10.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.765 1.626 . . . . 0.0 114.132 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.3 122.53 16.4 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 120.159 -1.588 . . . . 0.0 109.153 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -61.28 157.24 16.84 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-O 121.702 0.763 . . . . 0.0 109.444 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.61 -35.09 75.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.391 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m -71.34 -10.58 60.0 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.5 mm -115.57 -41.42 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.71 99.86 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.919 -0.488 . . . . 0.0 109.738 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.66 -37.62 73.71 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.149 -0.969 . . . . 0.0 111.953 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.06 -47.03 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.26 -49.82 76.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -59.23 -43.6 92.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 120.179 -1.575 . . . . 0.0 112.099 -178.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.52 -60.66 3.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.847 1.659 . . . . 0.0 108.309 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.97 18.82 0.08 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 114.144 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.25 38.82 5.44 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.231 2.212 . . . . 0.0 113.114 -175.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -100.49 -24.21 14.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.089 2.156 . . . . 0.0 109.906 -174.41 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.0 -49.55 67.37 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.248 0.931 . . . . 0.0 109.608 177.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.49 3.31 0.21 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 128.49 2.716 . . . . 0.0 116.566 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.4 pt -140.24 8.22 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 C-N-CA 125.227 1.411 . . . . 0.0 110.546 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.0 m-85 -132.38 -169.88 2.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.783 3.633 . . . . 0.0 109.451 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -127.94 134.82 49.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 124.67 1.188 . . . . 0.0 110.169 173.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.04 130.3 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 125.533 1.771 . . . . 0.0 109.085 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -137.01 -179.59 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.033 1.733 . . . . 0.0 110.543 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 -49.23 6.0 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 120.921 -1.112 . . . . 0.0 109.366 -169.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 p -123.82 159.27 29.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.84 -19.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.552 -0.717 . . . . 0.0 111.272 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.59 -48.02 70.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.025 0.93 . . . . 0.0 110.621 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.92 -18.1 64.06 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.198 0.999 . . . . 0.0 111.917 -171.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.16 1.784 . . . . 0.0 110.323 -178.073 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 119.16 -0.447 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -157.39 160.18 38.15 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.269 1.028 . . . . 0.0 108.335 162.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -127.01 74.62 1.51 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.21 121.03 11.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 170.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mttp 169.07 176.26 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 130.012 3.325 . . . . 0.0 106.331 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.518 ' H ' HD21 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.11 152.64 29.36 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.299 1.44 . . . . 0.0 108.169 176.317 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -47.31 3.87 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.087 0.867 . . . . 0.0 110.478 -164.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.6 mt 68.44 125.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 128.764 2.826 . . . . 0.0 113.539 166.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.4 t -147.21 79.11 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 128.531 2.733 . . . . 0.0 106.844 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 74.4 mt-10 -64.89 120.84 13.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.022 -1.674 . . . . 0.0 109.704 170.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -95.22 -145.58 0.27 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.706 2.003 . . . . 0.0 109.627 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -73.88 0.09 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.699 1.2 . . . . 0.0 110.351 168.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -16.45 13.71 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.704 1.202 . . . . 0.0 111.347 -168.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -112.87 126.96 56.02 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.399 1.48 . . . . 0.0 108.12 -168.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . . . -80.46 98.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 166.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -74.16 122.2 26.91 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.75 95.22 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 123.654 1.692 . . . . 0.0 109.148 168.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.2 mtt-85 -59.94 119.82 8.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.908 162.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.44 147.07 6.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.406 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 8.8 mt-30 -126.07 155.53 41.41 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.688 1.195 . . . . 0.0 110.738 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.58 161.97 28.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.585 1.564 . . . . 0.0 110.951 -176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -71.52 153.56 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.894 1.277 . . . . 0.0 108.743 171.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.73 93.73 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 125.34 1.456 . . . . 0.0 111.414 -158.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -144.29 -166.81 2.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.502 1.121 . . . . 0.0 112.763 -171.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.99 -22.3 0.31 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.756 1.622 . . . . 0.0 114.759 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.4 -38.13 63.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.932 1.242 . . . . 0.0 109.011 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -12.36 35.07 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 121.938 -0.476 . . . . 0.0 110.038 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 t -57.34 -12.8 2.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.6 p -113.48 -38.25 4.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.27 156.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.98 -69.99 0.12 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.978 0.911 . . . . 0.0 110.537 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.34 -47.0 62.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.035 0.934 . . . . 0.0 110.107 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -49.65 -50.11 44.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.736 0.414 . . . . 0.0 110.846 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.64 -48.86 65.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.216 1.806 . . . . 0.0 111.171 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -64.74 -4.3 4.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 127.22 2.208 . . . . 0.0 112.996 -178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.9 -42.75 3.18 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.407 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -69.95 -40.89 75.19 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 121.396 1.907 . . . . 0.0 110.712 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -67.65 -38.36 83.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.08 -37.3 72.43 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.034 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -33.12 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 120.158 1.344 . . . . 0.0 112.985 175.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -59.9 -49.95 75.67 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 m -71.17 -40.05 71.52 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 123.76 0.824 . . . . 0.0 113.109 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -59.14 136.31 57.91 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -156.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t -83.96 -9.79 58.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.76 2.424 . . . . 0.0 112.656 -174.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -120.88 166.74 13.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -172.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -100.08 -41.72 7.03 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.636 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . 0.258 13.1 ttpt -79.79 96.89 6.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.947 1.249 . . . . 0.0 110.294 -169.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -88.83 104.76 15.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.74 99.59 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 125.654 1.581 . . . . 0.0 109.701 -162.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 111.09 22.42 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 123.988 0.915 . . . . 0.0 111.885 -170.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.452 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 18.0 t70 -91.44 138.69 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.808 2.043 . . . . 0.0 112.797 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -123.33 20.19 9.7 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -24.09 61.33 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.695 -1.253 . . . . 0.0 112.292 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.406 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 58.6 m -72.9 -44.41 61.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.398 -1.439 . . . . 0.0 112.009 170.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.9 t -82.18 120.75 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -154.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.1 m -125.19 -10.42 7.03 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -130.72 150.95 51.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.373 1.469 . . . . 0.0 107.934 163.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.2 ttt -142.59 130.62 21.86 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.306 1.842 . . . . 0.0 106.789 177.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -101.28 170.05 8.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 163.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -61.19 -8.97 4.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.947 -1.095 . . . . 0.0 112.847 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.68 77.04 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.424 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -55.19 -54.82 31.61 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 125.715 1.626 . . . . 0.0 112.08 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.09 -38.45 69.37 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.209 -2.348 . . . . 0.0 109.371 -178.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.97 -6.31 12.15 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.505 1.526 . . . . 0.0 113.418 170.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.424 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 61.3 m -86.9 -65.45 1.01 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 167.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.39 -42.04 98.09 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 118.511 0.596 . . . . 0.0 111.438 -164.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -52.62 -29.01 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -39.62 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-O 121.661 0.743 . . . . 0.0 111.197 175.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.9 -27.59 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 125.608 1.563 . . . . 0.0 109.687 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.56 -47.75 63.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.082 0.953 . . . . 0.0 109.481 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.51 -60.58 3.58 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 117.211 -1.376 . . . . 0.0 110.417 168.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -49.08 -39.08 26.44 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.737 1.153 . . . . 0.0 111.947 -171.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.75 -60.01 4.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 126.987 2.115 . . . . 0.0 109.898 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -41.54 26.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.5 1.12 . . . . 0.0 111.854 174.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mt -60.94 -39.56 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.868 1.213 . . . . 0.0 110.338 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.56 15.94 24.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.903 0.774 . . . . 0.0 112.163 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.6 81.38 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.935 1.731 . . . . 0.0 112.953 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -98.53 163.03 12.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.162 0.981 . . . . 0.0 110.196 -175.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 178.13 6.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.923 1.689 . . . . 0.0 109.312 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -160.09 125.3 3.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.544 1.137 . . . . 0.0 110.294 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 70.7 mt -140.3 149.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -103.83 149.46 25.03 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 120.145 1.339 . . . . 0.0 109.165 157.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.67 169.52 17.5 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.592 0.757 . . . . 0.0 111.584 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m 52.7 30.18 8.44 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.33 160.36 16.12 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.211 -0.931 . . . . 0.0 108.76 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -109.42 158.24 18.14 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 123.507 0.723 . . . . 0.0 110.297 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -15.89 63.86 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.351 0.596 . . . . 0.0 112.206 -175.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -85.45 -10.44 56.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.539 1.135 . . . . 0.0 112.689 173.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.2 mm -121.74 -37.43 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.85 1.66 . . . . 0.0 109.177 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -55.28 -50.19 70.18 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 122.823 1.297 . . . . 0.0 108.978 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -54.07 -38.23 65.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.765 1.626 . . . . 0.0 111.576 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.17 -50.3 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 -171.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.87 -48.18 70.3 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.79 -48.34 82.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.894 -1.129 . . . . 0.0 110.956 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -51.98 -44.97 64.29 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.794 2.038 . . . . 0.0 110.035 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -87.35 5.74 37.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.8 27.85 14.67 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 127.37 2.268 . . . . 0.0 113.986 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -84.51 -38.46 20.04 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.605 1.562 . . . . 0.0 110.719 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.86 65.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.999 -1.063 . . . . 0.0 111.664 -171.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.6 ptmt -74.52 -20.01 60.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.43 1.092 . . . . 0.0 112.723 174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.5 pt -118.44 -37.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 119.83 1.195 . . . . 0.0 110.401 -166.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -72.0 -174.96 1.33 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.572 1.549 . . . . 0.0 110.114 163.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.42 153.35 35.36 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.33 134.29 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 165.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.1 p -124.65 -172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.721 1.609 . . . . 0.0 107.375 156.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.05 -33.07 5.18 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 124.233 1.013 . . . . 0.0 110.549 -164.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -128.18 144.95 51.16 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.36 -21.66 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.397 167.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -49.8 76.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.089 2.156 . . . . 0.0 112.155 169.352 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.7 -27.02 63.68 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.396 1.453 . . . . 0.0 112.2 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.551 1.541 . . . . 0.0 110.959 -172.528 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -150.21 161.46 42.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.496 1.919 . . . . 0.0 108.936 172.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -170.0 54.22 0.04 OUTLIER 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 123.752 0.821 . . . . 0.0 109.256 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.7 tm? 54.31 146.31 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 130.156 3.382 . . . . 0.0 114.385 -165.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -166.99 177.71 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 125.484 1.514 . . . . 0.0 111.329 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.8 mt -120.19 165.08 15.27 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 127.736 2.414 . . . . 0.0 109.144 168.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -45.92 2.51 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.774 1.23 . . . . 0.0 112.637 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt 57.98 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 130.44 3.496 . . . . 0.0 115.196 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.34 86.95 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 127.143 2.177 . . . . 0.0 108.641 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.35 120.07 13.24 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.054 -1.654 . . . . 0.0 108.159 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -145.55 0.13 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.819 1.247 . . . . 0.0 109.767 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -67.29 -61.99 1.64 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.661 1.584 . . . . 0.0 110.095 166.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.68 -7.79 1.9 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.28 1.432 . . . . 0.0 111.438 -167.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.43 140.45 44.65 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.886 1.674 . . . . 0.0 107.119 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -104.25 105.43 15.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.64 126.34 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -114.16 86.3 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.764 1.226 . . . . 0.0 109.126 173.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -78.53 123.98 27.66 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.05 151.6 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.177 0.991 . . . . 0.0 110.298 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -127.17 134.73 50.12 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.902 166.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.31 159.39 25.12 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.77 149.01 32.25 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.593 0.711 . . . . 0.0 109.832 156.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 13.4 tt -104.06 140.23 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.413 2.285 . . . . 0.0 106.996 -174.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -175.72 -175.89 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 120.775 -1.203 . . . . 0.0 112.443 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.82 58.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.888 -1.054 . . . . 0.0 111.916 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.47 -28.11 69.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.249 1.386 . . . . 0.0 112.185 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -117.73 -0.41 11.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 112.28 -174.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.2 p -51.46 -10.48 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 161.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -120.85 -32.94 3.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 115.913 -1.994 . . . . 0.0 113.932 151.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -68.33 0.19 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 119.853 1.206 . . . . 0.0 110.668 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.47 -40.42 78.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.235 1.414 . . . . 0.0 111.621 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.1 ttpt -59.1 -47.32 85.69 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 123.127 0.571 . . . . 0.0 109.839 -176.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.48 -43.71 63.28 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.401 0.68 . . . . 0.0 109.56 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.08 -11.59 9.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.042 0.937 . . . . 0.0 111.594 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.6 mt -105.67 -50.62 3.16 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 115.638 -2.125 . . . . 0.0 110.436 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -64.89 -33.96 77.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 123.91 3.05 . . . . 0.0 111.551 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.86 -46.2 75.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.2 -49.8 66.07 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.749 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 mt -50.95 -28.02 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 125.14 1.376 . . . . 0.0 112.312 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -48.09 25.46 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.902 0.773 . . . . 0.0 110.241 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -55.05 -46.64 75.37 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.64 1.176 . . . . 0.0 111.564 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 115.47 3.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 122.649 1.214 . . . . 0.0 111.646 -152.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -14.7 62.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.338 2.255 . . . . 0.0 113.95 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -98.11 169.4 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.069 1.748 . . . . 0.0 109.338 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -115.06 -31.74 5.95 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -79.86 94.99 5.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.411 1.46 . . . . 0.0 109.287 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.8 mm -89.34 102.74 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.5 t -105.06 125.14 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.94 143.75 26.4 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-O 117.098 -1.429 . . . . 0.0 107.705 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -113.05 122.89 48.95 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 130.714 3.606 . . . . 0.0 107.869 171.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -118.21 23.76 11.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.657 0.783 . . . . 0.0 110.749 -171.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -30.44 71.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.426 -0.796 . . . . 0.0 111.48 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.6 m -81.56 -10.57 59.42 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.33 -1.481 . . . . 0.0 111.623 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.89 84.55 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -171.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -70.7 -22.5 62.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.541 1.137 . . . . 0.0 113.41 -178.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -147.89 158.7 44.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.588 2.355 . . . . 0.0 107.246 -176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.5 ttt -144.43 125.49 14.49 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.36 1.464 . . . . 0.0 107.478 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.09 158.41 22.44 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -52.02 -8.42 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.235 2.614 . . . . 0.0 114.771 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.4 -26.17 13.69 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.373 1.469 . . . . 0.0 109.742 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.88 -49.3 80.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.71 -42.14 98.55 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 121.938 -0.742 . . . . 0.0 109.896 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.91 -9.55 47.1 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.433 1.492 . . . . 0.0 112.654 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.2 m -107.66 0.21 22.32 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 126.925 2.09 . . . . 0.0 110.381 -176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.8 mt -118.82 -32.21 4.58 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.095 0.958 . . . . 0.0 110.058 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.98 -41.47 83.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -64.85 -29.14 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.581 1.553 . . . . 0.0 112.451 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.14 -18.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.454 0.701 . . . . 0.0 109.801 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.22 -54.52 16.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.323 0.965 . . . . 0.0 108.692 168.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -56.39 -66.31 0.46 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 116.865 -1.541 . . . . 0.0 110.081 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -41.14 -44.4 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 120.842 1.655 . . . . 0.0 112.591 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -59.29 4.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 110.243 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -31.78 61.43 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.821 1.648 . . . . 0.0 111.938 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.2 mt -57.77 -48.18 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.794 1.634 . . . . 0.0 108.585 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.55 11.56 30.51 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.326 0.651 . . . . 0.0 112.025 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.91 76.25 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.134 1.35 . . . . 0.0 113.629 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -92.55 158.68 15.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.06 -177.45 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.164 0.586 . . . . 0.0 110.536 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -158.06 130.91 7.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.471 1.108 . . . . 0.0 110.212 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.8 mt -144.09 156.73 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.39 2.276 . . . . 0.0 107.454 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.23 141.34 48.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.534 1.533 . . . . 0.0 108.592 171.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 59.5 p -128.83 166.18 19.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.792 2.037 . . . . 0.0 111.174 -177.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m 50.62 30.19 4.68 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.137 1.775 . . . . 0.0 114.214 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.0 mt -66.92 130.12 42.11 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.482 -1.386 . . . . 0.0 110.238 -170.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.5 mttt -65.91 147.79 52.81 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.531 169.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.09 -39.89 83.59 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.469 1.106 . . . . 0.0 108.896 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 m -66.89 -12.37 59.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.486 0.714 . . . . 0.0 112.615 -172.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -113.33 -41.99 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 128.207 2.603 . . . . 0.0 107.762 -174.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -39.4 93.02 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.897 0.879 . . . . 0.0 109.145 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -55.93 -54.64 42.23 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.32 165.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -58.79 -41.01 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 108.977 -164.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -51.68 -53.48 38.53 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 172.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -64.6 -35.7 81.86 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.452 -1.405 . . . . 0.0 111.771 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 mp -61.36 -18.33 58.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.297 1.039 . . . . 0.0 112.328 170.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -115.62 18.52 15.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.409 1.484 . . . . 0.0 111.242 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 51.01 27.69 3.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.912 2.485 . . . . 0.0 114.28 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -30.93 22.06 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -34.42 77.8 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.444 1.02 . . . . 0.0 109.864 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -63.38 -21.08 66.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.672 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.77 8.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 121.817 2.099 . . . . 0.0 112.856 -165.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -128.13 -171.19 2.39 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 129.821 3.248 . . . . 0.0 107.903 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -125.96 147.13 49.59 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 121.353 -0.842 . . . . 0.0 109.55 163.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -123.79 129.68 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 O-C-N 125.963 2.039 . . . . 0.0 106.224 175.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.1 p -129.52 172.06 11.94 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.134 1.773 . . . . 0.0 109.983 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.01 -50.91 10.34 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 121.391 -0.818 . . . . 0.0 110.209 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.6 p -119.96 156.41 30.89 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.2 m -59.75 -20.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 110.583 167.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.07 -27.79 24.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.557 1.943 . . . . 0.0 112.332 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.63 -21.12 65.4 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.423 1.011 . . . . 0.0 111.633 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 CA-C-O 117.963 -1.017 . . . . 0.0 111.201 177.391 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -67.8 156.12 37.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.401 1.001 . . . . 0.0 110.555 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.5 85.64 1.72 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.804 1.642 . . . . 0.0 107.041 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.62 117.14 4.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 173.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -172.16 179.88 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 127.773 2.429 . . . . 0.0 106.775 175.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.24 130.27 55.97 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.86 -43.84 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 128.049 2.54 . . . . 0.0 109.126 -166.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.5 mt 60.99 121.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 129.319 3.048 . . . . 0.0 113.074 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.08 90.73 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 128.084 2.554 . . . . 0.0 107.839 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.1 120.19 11.6 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.397 -0.815 . . . . 0.0 108.885 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.43 -148.17 0.27 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.491 1.117 . . . . 0.0 109.885 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -77.0 -47.37 20.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.958 1.303 . . . . 0.0 110.099 -168.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -142.32 0.1 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.005 0.907 . . . . 0.0 112.408 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -109.95 138.55 46.16 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.85 108.77 18.29 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 167.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.6 mt -78.03 129.53 37.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -117.2 83.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -66.49 130.72 44.13 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 172.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.34 147.2 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -128.98 143.43 50.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.07 143.84 15.53 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.001 1.286 . . . . 0.0 110.46 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.25 148.06 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.192 1.797 . . . . 0.0 109.307 159.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.7 tp -109.38 127.46 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -167.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -147.73 -175.29 4.81 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.443 1.097 . . . . 0.0 111.37 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.08 63.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.845 2.058 . . . . 0.0 114.99 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.66 -35.58 29.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 120.322 1.419 . . . . 0.0 109.487 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.78 -13.11 37.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 -165.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.1 p -63.75 0.99 0.68 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 130.581 3.552 . . . . 0.0 114.24 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -120.56 -25.3 5.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.883 159.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.69 -66.66 0.52 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.625 1.102 . . . . 0.0 111.723 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -49.76 -45.38 49.48 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.027 1.285 . . . . 0.0 110.255 176.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -55.48 -50.86 68.81 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.83 -50.74 72.28 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.952 1.301 . . . . 0.0 110.367 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -48.27 -43.26 32.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 125.084 1.49 . . . . 0.0 108.603 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.23 -48.25 8.71 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.137 -1.411 . . . . 0.0 109.852 -168.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -62.22 -32.38 73.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 121.911 2.141 . . . . 0.0 111.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -67.62 -48.79 65.75 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -73.59 -38.61 65.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -172.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.05 -36.83 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 119.846 1.203 . . . . 0.0 111.467 169.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -53.16 58.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 173.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 m -53.56 -54.84 31.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.584 1.153 . . . . 0.0 111.794 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.4 t -72.36 126.5 29.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -137.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 m -59.5 -11.37 4.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.177 1.791 . . . . 0.0 113.532 170.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -107.44 166.08 10.92 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 119.654 1.116 . . . . 0.0 109.752 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -110.3 -41.41 4.4 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-O 116.981 -1.485 . . . . 0.0 111.037 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -70.37 145.43 51.13 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 120.835 1.652 . . . . 0.0 110.678 172.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 49.7 mt -137.69 93.21 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.94 104.84 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.16 155.3 23.84 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.479 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -133.6 107.97 8.3 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.851 1.66 . . . . 0.0 107.298 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.07 19.63 20.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.46 1.504 . . . . 0.0 111.178 -167.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 t -51.59 -30.88 22.74 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 175.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -98.03 -5.38 34.11 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.982 1.713 . . . . 0.0 112.268 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -83.14 89.6 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -80.83 -25.01 38.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.025 -1.047 . . . . 0.0 113.007 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -136.14 156.87 48.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.5 ttt -147.4 138.39 23.63 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 107.544 175.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.84 174.59 5.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.674 0.79 . . . . 0.0 109.43 166.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m -51.92 -29.02 18.4 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.547 1.139 . . . . 0.0 112.321 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.41 86.33 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.904 0.882 . . . . 0.0 109.46 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.22 59.76 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 125.31 1.433 . . . . 0.0 110.635 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -52.97 46.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.259 1.424 . . . . 0.0 108.928 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.45 -24.34 61.5 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.873 0.749 . . . . 0.0 111.475 177.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -86.46 -2.06 58.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.597 1.559 . . . . 0.0 111.354 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -117.89 -41.89 2.87 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.35 -20.27 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.41 0.624 . . . . 0.0 111.916 175.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.8 -40.63 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 121.399 -0.813 . . . . 0.0 110.629 167.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mm -69.06 -31.38 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.259 1.023 . . . . 0.0 109.035 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -54.31 -29.71 48.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.88 -1.138 . . . . 0.0 111.319 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -82.96 -62.2 1.66 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 115.821 -2.037 . . . . 0.0 109.32 164.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -44.94 -42.12 7.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 122.21 2.277 . . . . 0.0 113.764 -171.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.66 -58.09 9.43 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.799 2.04 . . . . 0.0 109.586 173.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.69 58.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.979 1.712 . . . . 0.0 113.319 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -61.11 -41.38 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 121.214 1.824 . . . . 0.0 108.482 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.64 12.58 16.43 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.661 0.664 . . . . 0.0 112.168 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.72 48.0 87.29 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 125.394 1.473 . . . . 0.0 112.855 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -120.5 167.83 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.791 0.796 . . . . 0.0 111.021 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.87 -175.33 4.58 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 128.012 2.525 . . . . 0.0 111.133 -176.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.17 124.16 0.32 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.798 2.039 . . . . 0.0 108.049 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.3 mt -144.52 144.29 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -106.51 138.67 42.27 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.789 1.236 . . . . 0.0 109.533 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.433 ' HG ' ' C ' ' A' ' 105' ' ' ASP . 0.1 OUTLIER -137.27 164.89 27.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.825 0.45 . . . . 0.0 110.884 177.381 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t 45.01 44.96 8.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.353 1.461 . . . . 0.0 111.467 -170.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.0 mt -71.42 124.17 24.0 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.43 155.03 22.71 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-O 122.906 1.336 . . . . 0.0 109.768 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.37 -29.6 67.42 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.909 -1.95 . . . . 0.0 109.84 -174.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -79.19 -4.69 51.74 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.652 1.181 . . . . 0.0 112.109 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.83 -39.23 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 124.901 1.28 . . . . 0.0 108.585 -172.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.7 t -55.8 -47.47 77.07 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.266 1.026 . . . . 0.0 108.649 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -60.32 -37.21 79.91 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 120.676 -1.265 . . . . 0.0 113.258 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.66 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.3 -32.4 66.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.819 171.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -69.67 -49.53 52.66 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 122.58 2.446 . . . . 0.0 111.924 174.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.65 -23.55 6.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.011 1.724 . . . . 0.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -120.11 27.96 8.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.635 1.574 . . . . 0.0 111.666 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 46.34 44.39 12.58 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.707 2.403 . . . . 0.0 114.537 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.427 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -112.17 -42.62 3.69 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 128.22 2.608 . . . . 0.0 108.38 -170.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -35.47 67.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 110.332 172.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -7.68 47.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.1 pt -134.0 -26.29 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.481 1.113 . . . . 0.0 112.181 -169.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.8 m-30 -74.86 -169.28 0.86 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.157 1.783 . . . . 0.0 109.872 169.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -133.39 134.34 43.56 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 119.094 0.861 . . . . 0.0 109.251 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.1 mp -124.23 127.59 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 124.7 1.25 . . . . 0.0 108.275 -169.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 p -123.5 173.53 7.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 127.031 2.132 . . . . 0.0 109.075 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . 0.433 ' C ' ' HG ' ' A' ' 82' ' ' SER . 4.8 m-20 -94.58 -71.35 0.67 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 p -93.4 153.51 18.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.456 1.502 . . . . 0.0 108.352 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.84 -14.24 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.143 167.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -75.16 -22.32 58.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.574 1.95 . . . . 0.0 112.24 170.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -2.04 45.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.1 0.96 . . . . 0.0 111.863 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.387 0 CA-C-O 116.95 -1.5 . . . . 0.0 113.327 -165.79 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 50.76 40.65 24.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.466 1.03 . . . . 0.0 112.412 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 47.94 48.93 17.57 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.862 1.665 . . . . 0.0 113.192 -172.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.79 105.57 0.19 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.09 1.756 . . . . 0.0 110.839 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.26 28.56 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 123.988 0.915 . . . . 0.0 111.104 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.76 133.97 40.65 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.26 -16.41 19.42 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.005 1.322 . . . . 0.0 111.761 -168.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.2 mt 35.16 119.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.937 1 C-N-CA 132.412 4.285 . . . . 0.0 115.153 169.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.96 85.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 C-N-CA 127.842 2.457 . . . . 0.0 106.2 -174.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.66 112.64 3.76 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.3 tm0? -79.75 -147.62 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.96 -60.28 2.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.402 -1.436 . . . . 0.0 109.778 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -139.6 3.31 2.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 122.616 1.198 . . . . 0.0 111.527 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -119.98 140.93 50.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 130.636 3.574 . . . . 0.0 106.098 178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -107.97 109.97 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.918 1.287 . . . . 0.0 108.193 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 34.8 mt -84.69 105.25 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.74 96.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 162.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 -68.9 124.6 24.15 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 161.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.7 t -86.23 148.26 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 171.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -113.51 154.31 27.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 154.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.67 150.01 13.46 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.74 1.638 . . . . 0.0 112.295 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -55.36 173.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 129.273 3.029 . . . . 0.0 113.298 167.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG22 ' HG3' ' A' ' 57' ' ' MET . 14.9 tt -136.02 115.0 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 120.102 -1.624 . . . . 0.0 112.16 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.76 -168.99 3.14 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 110.317 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.03 -33.09 64.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.333 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.02 -34.7 79.07 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 121.351 1.887 . . . . 0.0 110.833 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -98.96 -6.73 28.18 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -170.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.466 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 8.7 t -68.0 -13.1 61.91 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.021 2.128 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -106.81 -26.49 11.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 119.973 1.26 . . . . 0.0 111.004 163.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -61.65 1.71 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 119.227 0.921 . . . . 0.0 110.133 -175.172 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.9 tp -53.1 -44.24 67.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.291 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.466 ' HE3' ' O ' ' A' ' 28' ' ' SER . 24.3 ttmt -54.6 -52.87 60.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.19 0.596 . . . . 0.0 110.829 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.59 -41.0 80.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -58.88 -35.25 72.7 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.998 0.919 . . . . 0.0 109.179 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.81 -46.04 9.79 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-O 115.412 -2.232 . . . . 0.0 111.342 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -56.56 -35.63 68.38 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 123.481 2.855 . . . . 0.0 110.785 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -79.05 -37.6 38.56 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.899 0.879 . . . . 0.0 110.519 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -70.82 -49.7 43.51 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.374 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 16.8 mt -49.27 -42.21 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.393 175.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -59.16 -37.94 78.54 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.416 0.553 . . . . 0.0 111.102 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.7 m -71.53 -58.16 3.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.053 0.941 . . . . 0.0 111.622 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.1 t -58.74 118.47 5.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.444 1.116 . . . . 0.0 111.299 -145.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 m -60.02 -32.2 70.66 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.877 0.871 . . . . 0.0 111.899 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 38.4 mmtm -79.06 160.43 27.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 124.297 1.039 . . . . 0.0 108.853 -175.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -106.21 -39.66 5.87 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 117.873 -1.06 . . . . 0.0 111.838 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -76.47 98.26 4.55 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 116.809 -1.567 . . . . 0.0 110.266 -176.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -83.43 102.23 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 121.243 1.838 . . . . 0.0 107.319 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 71.0 t -96.42 120.96 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 128.442 2.697 . . . . 0.0 107.823 -176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -111.0 108.99 18.91 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 123.169 0.588 . . . . 0.0 111.395 -175.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -79.47 115.98 19.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 116.305 -1.807 . . . . 0.0 111.587 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.283 0.8 OUTLIER -102.81 22.15 14.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 121.943 2.156 . . . . 0.0 115.454 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -69.43 -23.24 63.66 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.844 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -81.4 -35.64 30.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 120.202 1.364 . . . . 0.0 110.934 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.65 95.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.886 -168.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.6 m -93.23 -7.23 45.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.48 146.99 30.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.4 ' HG3' HG22 ' A' ' 23' ' ' ILE . 10.6 ttt -136.87 153.1 50.86 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.988 0.915 . . . . 0.0 108.997 169.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -133.39 169.24 17.23 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.046 1.738 . . . . 0.0 108.364 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -34.88 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 1 C-N-CA 131.896 4.078 . . . . 0.0 113.495 165.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.55 41.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -37.23 -59.98 1.14 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 128.855 3.122 . . . . 0.0 113.639 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.1 -30.13 67.26 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.854 -2.557 . . . . 0.0 110.758 -169.458 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.35 -30.76 78.54 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.724 1.154 . . . . 0.0 112.196 167.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 33.7 m -72.79 -35.39 67.36 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 126.881 2.073 . . . . 0.0 108.161 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.43 -46.04 15.18 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.276 0.489 . . . . 0.0 110.765 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.2 p -74.37 -12.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.014 -1.054 . . . . 0.0 112.76 -173.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.27 -40.89 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.186 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mm -67.83 -27.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 124.221 1.009 . . . . 0.0 109.212 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.62 -16.64 40.53 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.426 -0.796 . . . . 0.0 111.253 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -82.87 -61.51 1.85 Allowed 'General case' 0 C--O 1.22 -0.464 0 O-C-N 120.274 -1.516 . . . . 0.0 110.766 156.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -47.4 -47.06 26.6 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.026 1.739 . . . . 0.0 114.03 -170.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.12 -50.65 72.15 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.665 1.586 . . . . 0.0 108.636 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -51.28 61.55 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.322 -1.323 . . . . 0.0 110.911 173.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.87 -46.17 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 120.18 1.354 . . . . 0.0 109.641 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -88.7 1.13 55.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.007 0.432 . . . . 0.0 111.818 -171.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.89 32.63 48.97 Favored Glycine 0 N--CA 1.443 -0.898 0 O-C-N 121.657 -0.652 . . . . 0.0 112.478 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 62.0 mmtt -110.84 149.49 30.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.03 0.915 . . . . 0.0 108.556 178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -85.57 175.95 8.49 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.055 1.342 . . . . 0.0 109.309 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -150.12 132.0 15.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 120.721 -1.237 . . . . 0.0 109.309 -172.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 mt -145.55 153.85 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -119.59 143.31 47.71 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 168.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 m -142.93 162.01 36.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.514 1.125 . . . . 0.0 108.462 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m 55.44 70.37 0.64 Allowed 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 141.86 31.55 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 121.958 0.885 . . . . 0.0 110.177 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -72.44 150.57 43.22 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 107.759 168.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.22 -41.36 71.95 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -62.73 -17.51 60.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.151 1.38 . . . . 0.0 112.862 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.8 mm -117.33 -39.6 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 C-N-CA 125.74 1.616 . . . . 0.0 107.552 -167.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -43.25 99.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -58.66 -37.84 76.84 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.54 170.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -66.38 -47.13 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 -172.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.79 -50.81 69.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.49 -51.59 68.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.502 1.121 . . . . 0.0 111.418 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 mt -46.25 -58.94 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 127.568 2.347 . . . . 0.0 109.439 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.68 1.82 9.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.95 27.06 4.52 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 127.649 2.38 . . . . 0.0 111.95 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -38.33 38.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 125.265 1.426 . . . . 0.0 110.171 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -30.19 70.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 120.904 -1.123 . . . . 0.0 111.192 -169.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.81 -6.02 41.98 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.305 1.842 . . . . 0.0 114.254 176.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -127.95 -14.81 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.596 1.158 . . . . 0.0 111.717 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.71 -178.09 3.55 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.936 2.495 . . . . 0.0 109.868 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -113.39 133.88 54.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -128.91 134.58 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.85 174.08 10.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.074 1.75 . . . . 0.0 109.864 175.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -44.35 10.09 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 123.59 1.662 . . . . 0.0 110.783 -165.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.0 p -125.01 158.84 32.71 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.1 m -58.96 -33.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.22 -37.92 70.33 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.679 1.192 . . . . 0.0 112.828 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -77.26 -8.11 57.05 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.425 -0.797 . . . . 0.0 112.169 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.5 1.12 . . . . 0.0 108.728 176.708 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -94.25 122.05 36.4 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.939 1.245 . . . . 0.0 109.22 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -147.78 39.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.421 0.555 . . . . 0.0 111.143 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 66.06 138.1 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.8 1.64 . . . . 0.0 110.51 -169.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -161.09 -173.32 3.82 Favored 'General case' 0 CA--C 1.506 -0.723 0 O-C-N 120.736 -1.228 . . . . 0.0 109.37 -169.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.41 176.1 6.35 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 165.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 -42.38 2.49 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.682 0.674 . . . . 0.0 111.311 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.7 mt 64.91 124.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 129.243 3.017 . . . . 0.0 113.116 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.95 87.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 127.19 2.196 . . . . 0.0 105.923 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -61.61 113.25 2.6 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.598 -1.314 . . . . 0.0 108.126 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.69 -154.4 0.18 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.89 2.076 . . . . 0.0 108.069 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.32 -56.52 19.5 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.812 1.245 . . . . 0.0 109.806 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.59 11.28 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -117.75 147.86 42.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.057 -1.027 . . . . 0.0 109.242 165.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.29 109.0 20.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.8 mt -77.46 87.5 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.1 t -86.4 90.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 123.819 1.771 . . . . 0.0 108.459 177.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -67.62 116.79 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.4 t -98.62 143.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 120.698 1.59 . . . . 0.0 108.47 -178.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -132.84 150.12 52.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.555 1.142 . . . . 0.0 111.705 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.15 150.11 5.29 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.511 1.529 . . . . 0.0 111.393 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.39 143.28 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 109.908 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 tt -103.97 116.63 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.522 0.677 . . . . 0.0 110.036 -169.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -150.66 -179.76 7.52 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.212 1.005 . . . . 0.0 111.869 -155.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -16.38 9.34 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.121 -1.612 . . . . 0.0 112.982 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -37.1 27.19 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.547 1.539 . . . . 0.0 108.369 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -14.51 59.94 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.693 0.797 . . . . 0.0 109.043 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.84 -18.64 5.1 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 124.774 1.296 . . . . 0.0 113.14 -166.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 p -121.08 -22.76 6.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 116.997 -1.478 . . . . 0.0 112.977 165.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.29 -69.22 0.28 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.155 1.343 . . . . 0.0 108.272 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.14 -36.55 80.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -57.29 -45.46 84.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.43 -1.271 . . . . 0.0 109.636 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.78 -50.5 56.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.991 1.268 . . . . 0.0 109.763 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -61.1 -8.01 3.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.098 1.759 . . . . 0.0 112.212 -175.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.71 -49.54 2.54 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 115.03 -2.414 . . . . 0.0 111.707 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -54.37 -36.83 64.29 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 123.992 3.087 . . . . 0.0 110.321 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -72.04 -52.13 18.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -64.1 -43.67 94.66 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.074 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.78 -35.11 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.557 170.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.6 p -68.73 -50.4 51.0 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.232 1.378 . . . . 0.0 109.538 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.83 -43.64 98.25 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.809 0.844 . . . . 0.0 112.411 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 t -59.98 130.07 44.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.468 1.127 . . . . 0.0 110.405 -151.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -79.7 -6.28 56.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.859 1.664 . . . . 0.0 111.755 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -119.15 150.21 40.43 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.89 1.276 . . . . 0.0 108.761 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -34.21 13.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 118.456 -0.783 . . . . 0.0 113.055 -170.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -78.38 91.9 4.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 117.207 -1.377 . . . . 0.0 110.441 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -83.14 98.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.54 132.66 39.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.83 110.51 15.54 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.332 -169.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -100.06 126.87 46.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.48 1.912 . . . . 0.0 111.282 -170.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.84 18.91 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.911 0.884 . . . . 0.0 113.026 -169.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.0 p -63.03 -25.01 68.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.538 -0.726 . . . . 0.0 112.116 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -78.95 -41.16 29.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.75 -1.219 . . . . 0.0 109.994 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -73.09 112.78 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 125.168 1.387 . . . . 0.0 110.297 -166.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -108.42 -26.95 10.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -167.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -110.69 171.32 7.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.069 1.747 . . . . 0.0 107.704 167.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.4 ttt -160.59 119.97 2.7 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.285 1.034 . . . . 0.0 109.103 170.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -84.79 166.97 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.302 1.041 . . . . 0.0 110.444 170.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.17 -38.23 3.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.699 2.0 . . . . 0.0 112.759 161.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.27 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.283 0.633 . . . . 0.0 110.755 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.24 -59.06 8.31 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -41.39 96.31 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.0 -171.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.66 -22.92 48.21 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.02 0.827 . . . . 0.0 113.268 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -100.36 -12.73 19.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 126.665 1.986 . . . . 0.0 110.239 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -96.73 -42.24 8.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.039 0.936 . . . . 0.0 110.037 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.67 -26.97 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.169 -1.582 . . . . 0.0 111.538 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.57 -35.88 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.905 1.282 . . . . 0.0 111.297 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.0 mm -69.57 -27.23 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.297 -173.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -49.9 64.49 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.12 1.327 . . . . 0.0 108.572 170.324 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -65.56 -64.13 0.93 Allowed 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 -41.54 4.57 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.111 1.364 . . . . 0.0 113.73 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -60.76 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.915 0.886 . . . . 0.0 109.266 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.43 -41.37 60.76 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 0.0 112.102 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.42 -43.07 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 128.702 2.801 . . . . 0.0 108.437 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -93.21 6.01 49.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.828 1.251 . . . . 0.0 112.068 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.52 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.847 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -105.74 168.74 8.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.74 1.616 . . . . 0.0 109.71 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -116.22 165.77 12.79 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.568 1.547 . . . . 0.0 110.373 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -150.23 124.91 9.73 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.211 1.004 . . . . 0.0 108.714 -169.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 57.1 mt -142.56 144.73 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.56 154.15 19.1 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 119.722 1.146 . . . . 0.0 110.133 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 p -141.93 163.83 31.82 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.14 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.97 49.95 3.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.399 1.88 . . . . 0.0 113.48 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.23 151.95 38.37 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.698 -1.251 . . . . 0.0 109.541 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -94.62 153.52 17.8 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.833 0.453 . . . . 0.0 110.564 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.73 -16.63 64.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.653 1.181 . . . . 0.0 112.66 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -88.42 -8.32 55.16 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.764 -0.585 . . . . 0.0 111.804 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.78 -41.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.46 1.504 . . . . 0.0 107.952 -161.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -46.81 78.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -57.43 -39.55 76.45 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 124.545 1.138 . . . . 0.0 111.142 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.2 -50.15 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.57 -51.1 71.34 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -49.64 -54.16 20.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.284 1.034 . . . . 0.0 110.805 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.63 -52.81 53.81 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.201 2.2 . . . . 0.0 109.645 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -68.86 4.39 1.51 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.66 32.45 22.18 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.347 1.459 . . . . 0.0 110.978 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.78 19.33 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.697 -1.252 . . . . 0.0 109.817 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.81 62.98 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.019 -1.676 . . . . 0.0 112.334 -175.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -16.5 61.28 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.017 1.327 . . . . 0.0 113.18 170.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.9 pt -142.95 -0.79 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.833 1.253 . . . . 0.0 111.786 -159.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -113.45 -169.61 1.53 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.672 2.789 . . . . 0.0 108.028 174.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -140.6 137.22 33.49 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.843 -1.075 . . . . 0.0 108.399 178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.81 136.21 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 124.332 1.02 . . . . 0.0 109.116 -169.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -134.89 -169.75 2.42 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.092 0.957 . . . . 0.0 111.46 170.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.71 -44.99 3.73 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 125.968 1.707 . . . . 0.0 109.963 -171.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -117.63 149.64 40.36 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.4 m -55.0 -27.63 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.126 0.97 . . . . 0.0 111.042 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.85 -35.98 82.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -12.37 58.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.631 1.572 . . . . 0.0 112.84 -177.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 C-N-CA 125.474 1.51 . . . . 0.0 109.375 176.864 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.5 100.5 0.51 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.323 -1.485 . . . . 0.0 111.447 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 46.0 51.0 11.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.531 1.932 . . . . 0.0 112.467 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.7 tp -51.24 100.51 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 127.82 2.448 . . . . 0.0 112.615 -174.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -177.19 -179.54 0.89 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.074 2.15 . . . . 0.0 108.98 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.513 ' H ' ' CD2' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.7 157.14 24.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.911 2.084 . . . . 0.0 108.372 -178.6 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -107.98 -51.38 2.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.675 0.75 . . . . 0.0 112.238 -168.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.6 mt 67.98 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 129.366 3.067 . . . . 0.0 113.032 168.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -142.42 101.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 127.768 2.427 . . . . 0.0 107.844 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -71.4 106.79 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 120.228 -1.545 . . . . 0.0 106.952 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -79.25 -158.66 0.16 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -65.59 -47.82 74.43 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.02 -1.05 . . . . 0.0 109.81 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -135.9 -9.11 2.09 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.038 2.135 . . . . 0.0 111.334 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.28 127.67 48.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.648 1.979 . . . . 0.0 108.379 -167.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.7 107.05 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.68 109.17 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.58 97.55 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 167.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -74.78 133.72 41.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 166.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.8 t -107.87 145.4 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -123.01 141.22 52.2 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.454 1.502 . . . . 0.0 107.222 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.62 146.69 21.09 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-O 123.47 1.594 . . . . 0.0 111.925 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.04 143.95 37.03 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.964 2.105 . . . . 0.0 106.977 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -110.05 125.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.889 0.852 . . . . 0.0 111.943 -153.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -161.13 -171.02 2.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.129 1.372 . . . . 0.0 110.394 -163.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.11 60.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.865 2.066 . . . . 0.0 114.813 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.18 -17.59 56.62 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.682 1.583 . . . . 0.0 110.432 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -109.56 -11.64 14.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.851 1.26 . . . . 0.0 110.614 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -66.85 -6.18 15.33 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.91 1.684 . . . . 0.0 112.993 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -120.09 -31.08 4.52 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.688 162.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.26 -69.88 0.26 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.409 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.99 -41.55 47.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.352 0.978 . . . . 0.0 110.772 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -52.34 -57.27 10.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.931 0.492 . . . . 0.0 110.112 179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.13 -49.29 72.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.724 1.209 . . . . 0.0 109.888 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.36 -7.34 13.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.658 1.583 . . . . 0.0 112.389 -175.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.5 mt -104.69 -53.16 2.74 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-O 116.477 -1.725 . . . . 0.0 109.39 169.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 -62.39 -34.93 77.69 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 123.092 2.678 . . . . 0.0 111.199 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -79.16 -19.67 50.41 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.943 1.297 . . . . 0.0 110.901 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -84.94 -62.28 1.58 Allowed 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 116.036 -1.935 . . . . 0.0 109.121 173.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -43.46 -37.11 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.362 1.465 . . . . 0.0 112.842 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -57.07 -32.09 65.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.168 0.587 . . . . 0.0 111.638 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.68 -42.93 7.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.47 1.908 . . . . 0.0 107.984 -174.128 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 m -45.13 112.79 0.48 Allowed 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 126.507 1.923 . . . . 0.0 114.747 -163.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -68.82 -7.26 32.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.98 1.712 . . . . 0.0 113.991 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -121.19 108.55 13.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -166.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.41 -36.5 82.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.013 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -77.13 90.84 3.66 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.52 95.53 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.4 t -80.74 144.79 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.21 151.28 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.491 1.116 . . . . 0.0 108.296 168.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -129.82 121.02 25.95 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.361 1.864 . . . . 0.0 108.463 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.29 18.02 14.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.665 1.586 . . . . 0.0 112.483 -168.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -34.43 10.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.511 1.924 . . . . 0.0 111.875 174.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -91.93 -2.48 56.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.379 1.872 . . . . 0.0 113.998 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.13 84.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.011 1.278 . . . . 0.0 107.819 -164.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -18.83 57.25 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 118.146 -0.93 . . . . 0.0 112.276 -173.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -138.4 152.13 48.11 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.032 1.333 . . . . 0.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ttt -147.54 124.12 11.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.685 1.594 . . . . 0.0 107.191 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -89.67 171.19 9.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.6 m -44.95 -18.02 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.695 2.798 . . . . 0.0 113.505 160.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 -48.43 52.97 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.734 1.214 . . . . 0.0 109.933 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.86 -47.72 89.1 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-O 122.203 0.891 . . . . 0.0 112.692 -166.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.498 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.54 -42.04 92.37 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.588 -0.948 . . . . 0.0 110.201 -174.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.12 72.87 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.229 1.395 . . . . 0.0 112.106 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.3 m -88.49 -22.15 23.8 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 125.77 1.628 . . . . 0.0 109.059 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.0 mt -87.72 -47.3 8.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.794 0.725 . . . . 0.0 110.938 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.6 -26.69 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 120.915 -1.116 . . . . 0.0 112.301 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.81 -31.66 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 121.386 -0.821 . . . . 0.0 111.15 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 6.0 mm -81.48 -29.22 10.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 126.581 1.952 . . . . 0.0 110.156 175.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.05 -32.31 61.8 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.804 -1.185 . . . . 0.0 109.644 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -68.08 -63.27 1.09 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.017 160.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -49.26 -38.56 27.29 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.386 1.903 . . . . 0.0 114.343 -168.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.83 -57.78 11.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.504 1.122 . . . . 0.0 108.825 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -52.08 -34.05 42.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.756 1.623 . . . . 0.0 112.978 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.74 -44.3 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 120.724 1.602 . . . . 0.0 109.143 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -95.34 14.05 23.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.592 1.157 . . . . 0.0 111.761 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.34 19.16 52.17 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.754 1.645 . . . . 0.0 113.93 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.99 153.99 28.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.63 178.25 8.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.22 1.808 . . . . 0.0 110.393 176.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -159.58 131.49 6.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.457 -0.777 . . . . 0.0 110.668 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 85.3 mt -142.12 149.88 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.184 1.794 . . . . 0.0 107.423 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -113.78 138.65 49.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.439 1.096 . . . . 0.0 108.096 169.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 167.79 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.729 0.811 . . . . 0.0 112.541 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 50.13 38.37 16.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.43 2.292 . . . . 0.0 112.112 -169.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.0 mt -68.75 116.92 9.81 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.994 1.718 . . . . 0.0 109.914 -178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -61.89 144.08 55.47 Favored 'General case' 0 CA--C 1.493 -1.238 0 C-N-CA 124.487 1.115 . . . . 0.0 112.044 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.85 -25.93 68.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.969 -170.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 m -90.93 -7.15 52.91 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mm -104.1 -32.09 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.485 1.514 . . . . 0.0 108.689 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 m -61.48 -48.84 79.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.72 -44.21 63.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.044 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -47.53 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 108.604 -170.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.89 -51.63 66.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -41.63 73.96 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 119.151 0.887 . . . . 0.0 112.233 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 mt -63.71 -57.36 10.24 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 -170.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -71.32 -8.32 52.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.242 1.417 . . . . 0.0 113.058 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 95.2 8.54 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 130.806 3.642 . . . . 0.0 112.812 169.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.45 -33.06 70.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 120.581 -1.325 . . . . 0.0 113.021 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -18.36 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 119.455 1.025 . . . . 0.0 112.193 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -8.19 59.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.402 1.001 . . . . 0.0 113.354 171.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -134.89 8.7 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.797 1.239 . . . . 0.0 111.687 -167.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -129.0 176.38 7.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.532 2.733 . . . . 0.0 108.598 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.8 tttt -114.21 140.12 48.82 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 124.054 0.941 . . . . 0.0 109.77 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -131.89 135.07 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 O-C-N 125.291 1.619 . . . . 0.0 107.727 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 p -141.58 176.63 8.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.303 2.241 . . . . 0.0 108.942 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 -53.41 4.9 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.929 1.292 . . . . 0.0 109.975 -172.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -122.32 154.92 36.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -167.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.4 m -67.57 -17.99 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.998 0.904 . . . . 0.0 110.102 171.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.48 -45.2 92.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.119 166.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -17.3 52.24 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.998 1.726 . . . . 0.0 112.665 -172.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.873 0.469 . . . . 0.0 111.567 -174.333 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpt . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -150.73 71.86 1.06 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.641 1.576 . . . . 0.0 108.659 -172.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -154.45 38.11 0.43 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.231 1.412 . . . . 0.0 110.168 173.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.317 0.0 OUTLIER 68.19 144.21 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.585 2.354 . . . . 0.0 110.825 -166.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.51 153.9 20.04 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 120.335 -1.478 . . . . 0.0 112.694 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.92 136.84 46.08 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -54.61 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.9 mt 65.38 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 129.484 3.113 . . . . 0.0 112.645 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.03 89.54 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 126.136 1.775 . . . . 0.0 106.793 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 113.06 2.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 167.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.35 -142.36 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.58 -65.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 126.985 2.114 . . . . 0.0 108.797 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -137.3 -2.57 2.01 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.922 1.689 . . . . 0.0 111.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -100.47 133.75 44.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.314 2.646 . . . . 0.0 108.065 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -96.16 101.44 13.09 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.92 126.7 36.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 105.774 -1.935 . . . . 0.0 105.774 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.75 90.82 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 -76.68 117.45 18.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.35 142.12 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.407 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 57.8 mt-30 -116.24 152.21 34.24 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.206 1.002 . . . . 0.0 110.023 172.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 83.98 159.64 29.41 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.821 1.676 . . . . 0.0 112.906 176.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.22 155.56 40.47 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.412 1.885 . . . . 0.0 107.483 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . 0.259 1.0 OUTLIER -109.65 59.73 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 123.144 1.449 . . . . 0.0 108.31 -160.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -174.91 2.76 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.272 1.429 . . . . 0.0 109.992 -171.673 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.68 -19.69 2.56 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 119.542 -1.974 . . . . 0.0 113.916 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -62.25 -37.21 84.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.943 1.297 . . . . 0.0 111.553 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -17.77 41.74 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 120.966 -1.084 . . . . 0.0 109.748 175.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -60.73 -10.52 5.51 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -171.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 p -120.64 -23.52 6.01 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.739 154.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.12 -68.63 0.35 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 121.032 1.742 . . . . 0.0 109.873 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.5 -35.75 70.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 119.623 -1.923 . . . . 0.0 111.293 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.12 -49.69 76.66 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.892 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.409 ' N ' HH21 ' A' ' 36' ' ' ARG . 6.2 pt-20 -65.02 -46.09 82.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.905 1.229 . . . . 0.0 109.116 178.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.81 -5.55 44.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.404 1.082 . . . . 0.0 111.098 -169.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.9 mt -112.71 -46.17 3.16 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 115.961 -1.971 . . . . 0.0 110.061 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.409 HH21 ' N ' ' A' ' 33' ' ' GLU . 4.1 ptp180 -56.59 -41.71 77.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 121.618 2.008 . . . . 0.0 109.561 175.525 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -68.59 -43.01 77.41 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.25 92.63 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.907 1.283 . . . . 0.0 110.707 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -34.11 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.666 1.121 . . . . 0.0 111.926 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -54.07 32.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.692 0.797 . . . . 0.0 110.202 170.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.6 m -60.08 -34.22 73.16 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 t -66.54 117.33 8.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.998 1.38 . . . . 0.0 110.671 -157.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -30.16 69.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.559 1.943 . . . . 0.0 110.623 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -90.44 172.69 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.088 1.755 . . . . 0.0 108.302 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -118.18 -32.03 4.83 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -174.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -91.26 99.79 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.644 -1.169 . . . . 0.0 109.956 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mm -90.15 109.32 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.02 102.36 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.546 1.539 . . . . 0.0 108.795 -169.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -89.37 112.2 23.24 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.635 1.174 . . . . 0.0 111.04 -173.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -93.13 133.32 36.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.857 2.063 . . . . 0.0 110.318 -176.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -124.1 20.42 9.04 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -173.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.8 p -58.49 -27.29 64.31 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.948 -1.095 . . . . 0.0 112.627 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.1 -36.49 74.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.969 0.908 . . . . 0.0 111.614 174.332 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 45.7 t -92.7 97.13 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.514 1.126 . . . . 0.0 108.036 -148.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -90.72 -22.81 20.92 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.436 1.495 . . . . 0.0 112.879 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -130.35 150.45 51.58 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.519 1.128 . . . . 0.0 109.182 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ttt -140.11 136.3 33.42 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.344 1.458 . . . . 0.0 108.52 172.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -110.26 175.88 5.26 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.465 0.65 . . . . 0.0 109.589 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -64.9 -6.39 8.24 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.3 -22.5 26.73 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.26 1.846 . . . . 0.0 109.785 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -57.95 -66.59 2.71 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 124.604 2.224 . . . . 0.0 109.636 -179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.535 HD22 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.75 -28.19 67.16 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 119.155 -2.379 . . . . 0.0 112.363 -178.136 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.93 -7.8 85.06 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 128.683 3.039 . . . . 0.0 112.481 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 52.1 m -89.7 -54.09 4.22 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 127.395 2.278 . . . . 0.0 105.775 165.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.17 -44.58 94.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.828 -0.545 . . . . 0.0 111.907 -169.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.96 -20.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.2 t -69.89 -40.02 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.02 -25.72 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -55.6 -18.63 8.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.082 0.953 . . . . 0.0 112.099 171.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -99.69 -56.34 2.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 116.22 -1.847 . . . . 0.0 110.06 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.64 -45.04 6.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.219 1.827 . . . . 0.0 112.454 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.17 25.01 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.326 0.65 . . . . 0.0 109.747 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -34.04 62.51 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.228 1.811 . . . . 0.0 112.141 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.76 -41.77 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.862 1.21 . . . . 0.0 109.352 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -99.76 12.65 36.09 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.53 24.9 71.58 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.122 1.344 . . . . 0.0 113.86 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -103.67 159.11 15.89 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 119.338 1.569 . . . . 0.0 109.96 -174.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.4 ' HG3' ' H ' ' A' ' 79' ' ' PHE . 11.4 tp10 -92.43 -174.42 3.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.249 1.02 . . . . 0.0 110.04 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.4 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 14.8 t80 -164.82 127.8 2.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.923 0.889 . . . . 0.0 110.405 178.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.9 mt -142.77 152.67 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 128.109 2.564 . . . . 0.0 105.783 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.2 mt -116.85 134.9 54.2 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.22 162.11 27.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.971 0.891 . . . . 0.0 110.984 171.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 60.19 30.34 19.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.856 1.262 . . . . 0.0 112.936 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.5 mt -63.54 144.84 56.66 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -77.73 153.25 33.14 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.52 -33.87 71.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.376 0.608 . . . . 0.0 109.418 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -59.49 -17.48 32.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.334 1.054 . . . . 0.0 111.817 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mm -120.33 -41.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.877 2.471 . . . . 0.0 107.25 -165.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.2 m -56.76 -49.25 75.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.829 0.823 . . . . 0.0 109.163 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -54.91 -35.96 64.69 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.589 0.756 . . . . 0.0 112.429 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -47.86 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -171.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.22 -54.21 43.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -52.28 -51.96 55.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.656 0.783 . . . . 0.0 111.209 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.163 0.985 . . . . 0.0 112.101 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.37 16.45 16.82 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 0.0 112.069 175.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 m80 52.99 23.41 2.89 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 128.353 2.661 . . . . 0.0 114.082 -173.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -33.68 46.62 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.031 0.832 . . . . 0.0 111.733 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.38 84.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.267 0.939 . . . . 0.0 110.013 -173.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.69 -10.84 40.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -124.82 -0.11 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.181 1.355 . . . . 0.0 111.712 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -124.68 -179.96 4.73 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 127.117 2.167 . . . . 0.0 108.569 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -123.06 131.42 53.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 124.668 1.187 . . . . 0.0 108.663 173.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.8 mp -128.01 129.41 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -133.25 173.1 11.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.009 1.724 . . . . 0.0 108.048 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -45.48 8.23 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.395 1.478 . . . . 0.0 109.331 -162.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.7 p -129.99 150.99 51.02 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.35 -41.06 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.79 -38.56 34.84 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.29 1.436 . . . . 0.0 112.668 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -70.14 -29.46 66.39 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.376 -0.828 . . . . 0.0 112.792 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.85 0 C-N-CA 123.478 0.711 . . . . 0.0 110.318 -172.019 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 m120 25.44 58.65 0.05 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 129.57 3.148 . . . . 0.0 114.082 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -151.21 80.11 1.3 Allowed 'General case' 0 C--O 1.239 0.52 0 N-CA-C 104.616 -2.364 . . . . 0.0 104.616 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.422 HD21 ' H ' ' A' ' 5' ' ' LYS . 2.2 tm? 56.86 146.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 129.936 3.295 . . . . 0.0 112.377 -175.256 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' H ' HD21 ' A' ' 4' ' ' LEU . 19.8 pttt -167.72 -177.92 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.3 1.84 . . . . 0.0 110.419 162.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.521 ' H ' HD21 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -119.12 151.63 37.95 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 128.679 2.791 . . . . 0.0 106.461 169.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -47.19 3.42 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 123.135 0.574 . . . . 0.0 111.376 -172.371 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt 73.03 127.38 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 129.132 2.973 . . . . 0.0 112.349 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -146.78 74.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.108 2.963 . . . . 0.0 104.587 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -61.92 104.3 0.44 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.57 -1.331 . . . . 0.0 107.706 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.401 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -79.08 -157.62 0.13 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 108.523 175.693 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.17 -48.56 28.44 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.864 1.211 . . . . 0.0 112.388 -170.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -118.86 -10.14 9.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.046 0.939 . . . . 0.0 112.266 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.48 114.41 18.11 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.826 1.65 . . . . 0.0 108.592 -161.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.6 98.49 10.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.7 mt -85.32 118.98 33.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 118.232 -1.387 . . . . 0.0 107.608 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.82 93.96 3.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 126.418 1.887 . . . . 0.0 106.182 170.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -73.67 130.02 39.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -98.74 140.87 17.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -117.18 142.09 47.47 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.942 1.297 . . . . 0.0 110.728 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' H ' ' HB3' ' A' ' 53' ' ' SER . . . 85.5 161.07 34.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 156.99 18.45 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 125.752 1.621 . . . . 0.0 110.414 165.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 tt -116.03 135.13 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.684 1.994 . . . . 0.0 108.57 -174.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.412 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 45.8 p30 -166.83 -162.88 0.51 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.673 1.589 . . . . 0.0 112.555 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.05 -23.95 3.45 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.774 2.029 . . . . 0.0 115.394 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -82.05 -36.51 27.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.719 1.6 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' HB3' ' H ' ' A' ' 24' ' ' ASP . 6.8 t-20 -71.26 -26.05 62.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.124 1.37 . . . . 0.0 109.01 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -57.93 -14.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.395 1.478 . . . . 0.0 112.376 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -118.29 -31.01 5.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.9 158.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -59.84 -69.07 0.23 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 119.629 1.104 . . . . 0.0 110.395 -174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.95 -34.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.54 -0.725 . . . . 0.0 111.439 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -58.3 -49.82 75.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.05 -51.05 61.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.039 0.836 . . . . 0.0 109.783 177.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.36 1.03 4.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.328 1.851 . . . . 0.0 112.187 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.9 mt -117.02 -44.12 2.82 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 115.558 -2.163 . . . . 0.0 109.738 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -66.95 -40.97 87.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 122.979 2.627 . . . . 0.0 110.297 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -74.69 -34.4 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.219 0.608 . . . . 0.0 109.744 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.87 -43.76 78.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.749 173.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.3 mt -54.75 -45.26 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 119.263 0.938 . . . . 0.0 111.423 174.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -50.47 -47.59 57.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.71 0.686 . . . . 0.0 109.739 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.9 m -76.5 -44.88 33.34 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.689 0.796 . . . . 0.0 112.637 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.2 t -59.53 133.8 56.43 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.545 1.164 . . . . 0.0 111.222 -156.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 -11.33 57.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 110.854 -171.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -116.83 170.76 8.37 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 127.213 2.205 . . . . 0.0 109.154 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -120.34 -31.4 4.37 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.524 -1.227 . . . . 0.0 113.673 -168.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.3 92.03 5.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.394 -1.289 . . . . 0.0 108.589 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.2 mm -85.3 105.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -98.99 135.56 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.24 107.92 13.12 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 118.917 0.781 . . . . 0.0 109.935 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.53 116.16 27.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.137 1.775 . . . . 0.0 109.376 -175.345 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -101.16 22.35 12.5 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 121.228 1.831 . . . . 0.0 113.255 -178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.2 p -57.97 -29.18 65.01 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.48 1.112 . . . . 0.0 112.742 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.4 ' HB3' ' H ' ' A' ' 21' ' ' GLY . 0.5 OUTLIER -95.06 -18.36 21.08 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.199 -0.938 . . . . 0.0 111.334 179.138 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.5 t -78.11 107.06 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -173.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.7 m -108.45 -19.79 13.33 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.077 -167.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.79 149.57 52.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 168.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -145.4 154.11 41.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.47 179.43 6.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.357 1.863 . . . . 0.0 108.336 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -61.49 -17.27 53.85 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.56 98.53 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.537 0.735 . . . . 0.0 110.491 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.91 -54.03 41.37 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 125.434 1.492 . . . . 0.0 110.949 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -42.59 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.61 -175.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.12 -10.28 33.11 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.744 1.164 . . . . 0.0 113.627 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -104.95 -36.93 7.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 126.772 2.029 . . . . 0.0 108.879 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.36 -44.78 74.46 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 119.232 0.924 . . . . 0.0 110.284 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.38 -23.87 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.95 1.25 . . . . 0.0 113.517 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.26 -43.84 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.432 0.693 . . . . 0.0 109.46 168.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 mm -71.14 -20.01 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 125.147 1.379 . . . . 0.0 111.752 -175.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.05 -56.14 25.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.39 1.45 . . . . 0.0 108.158 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.98 -60.09 3.97 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 116.528 -1.701 . . . . 0.0 109.717 168.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -58.15 -35.19 71.18 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.931 2.15 . . . . 0.0 112.585 -167.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.98 -54.46 45.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.289 1.035 . . . . 0.0 109.768 170.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.55 -37.54 40.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.082 1.353 . . . . 0.0 112.001 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.86 -37.66 61.56 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 120.158 1.345 . . . . 0.0 109.078 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.54 18.58 21.94 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 118.642 0.655 . . . . 0.0 112.073 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 35.57 92.26 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.621 1.105 . . . . 0.0 113.275 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -109.28 157.9 18.39 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.619 1.21 . . . . 0.0 109.041 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' A' ' 79' ' ' PHE . 7.9 tp10 -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.206 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.411 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 20.0 t80 -167.47 114.81 0.76 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.112 -0.992 . . . . 0.0 110.315 -170.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.6 mt -139.58 147.34 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.2 mt -107.67 148.16 29.75 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.082 1.353 . . . . 0.0 108.374 172.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.46 168.27 23.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.445 1.098 . . . . 0.0 111.09 174.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m 46.29 70.88 0.34 Allowed 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.12 1.768 . . . . 0.0 114.92 -170.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 171.43 9.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.828 0.823 . . . . 0.0 109.244 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -110.58 157.15 19.98 Favored 'General case' 0 CA--C 1.486 -1.505 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.83 -31.56 72.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.328 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -72.33 -15.8 61.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -115.95 -40.01 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.067 1.347 . . . . 0.0 108.229 -164.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -59.43 -51.09 71.37 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -57.27 -32.59 66.76 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 116.803 -1.57 . . . . 0.0 112.136 173.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -46.85 83.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.239 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.31 -45.96 92.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -56.55 -53.24 59.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.796 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.79 -53.68 18.2 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.861 2.065 . . . . 0.0 109.387 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.38 7.96 10.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 59.97 28.15 17.64 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 127.697 2.399 . . . . 0.0 113.413 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.12 -37.1 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.457 1.503 . . . . 0.0 110.633 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -34.91 78.97 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.249 0.931 . . . . 0.0 109.85 -172.798 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -24.24 67.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 175.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 pt -115.08 -4.79 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.708 1.203 . . . . 0.0 111.197 -166.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.55 -176.73 2.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.544 2.338 . . . . 0.0 105.979 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -126.46 133.97 51.07 Favored 'General case' 0 CA--C 1.504 -0.789 0 O-C-N 121.133 -0.98 . . . . 0.0 108.429 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.56 137.94 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.32 179.84 6.08 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.431 2.292 . . . . 0.0 107.624 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -46.3 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 123.743 0.817 . . . . 0.0 109.694 -172.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.1 p -129.67 148.17 51.53 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.36 -17.32 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.566 -0.709 . . . . 0.0 111.008 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -45.48 92.41 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.144 1.778 . . . . 0.0 113.806 166.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.87 -16.14 62.68 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.404 1.457 . . . . 0.0 112.492 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 C-N-CA 124.99 1.316 . . . . 0.0 110.318 -177.13 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -72.39 -62.4 1.45 Allowed 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -154.13 102.91 2.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 172.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -64.03 136.37 57.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 168.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt 154.11 -160.42 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 130.252 3.421 . . . . 0.0 107.617 -165.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.77 -177.15 3.12 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 128.342 2.657 . . . . 0.0 108.931 -171.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.64 -39.25 2.01 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.639 1.176 . . . . 0.0 111.292 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt 54.62 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 130.193 3.397 . . . . 0.0 114.281 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.29 88.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 126.706 2.002 . . . . 0.0 107.917 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.07 117.17 14.48 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.31 -139.78 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.498 1.119 . . . . 0.0 108.347 -175.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.75 -53.76 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.944 -1.097 . . . . 0.0 111.707 171.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -135.01 -2.31 2.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.859 0.754 . . . . 0.0 112.93 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -107.31 140.46 40.18 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.942 1.297 . . . . 0.0 107.763 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -102.22 105.15 15.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 10.3 mt -79.62 126.46 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.69 81.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.487 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 36.1 mtt-85 -58.83 133.76 56.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.621 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 160.26 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.641 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -131.68 149.0 52.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.976 2.11 . . . . 0.0 107.897 161.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 90.67 161.62 37.57 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 124.36 0.981 . . . . 0.0 112.245 173.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.83 154.56 40.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.557 1.143 . . . . 0.0 108.309 169.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.403 HG21 ' HG3' ' A' ' 57' ' ' MET . 10.3 tt -116.32 103.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 124.755 1.222 . . . . 0.0 111.289 -173.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -150.53 -171.48 3.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.15 1.38 . . . . 0.0 111.533 -164.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.06 -25.41 1.41 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.157 2.183 . . . . 0.0 114.771 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -87.26 -32.87 19.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.343 0.974 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -80.34 -14.14 58.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.215 1.006 . . . . 0.0 109.858 176.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -9.27 2.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.58 -27.32 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 116.691 -1.624 . . . . 0.0 111.915 163.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -75.2 0.08 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.586 1.084 . . . . 0.0 109.649 -174.771 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.85 -31.63 68.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.014 -1.054 . . . . 0.0 111.985 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -55.96 -58.01 9.68 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.428 174.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.76 -49.84 74.79 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.428 1.091 . . . . 0.0 109.785 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -67.22 -6.27 17.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 110.907 -172.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 mt -106.99 -54.5 2.46 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 113.974 -2.917 . . . . 0.0 111.693 168.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -52.26 -36.68 53.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 125.947 3.976 . . . . 0.0 110.963 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -68.69 -46.23 69.59 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -70.62 -40.75 72.96 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.184 -1.389 . . . . 0.0 112.913 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.08 -32.97 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 121.621 2.009 . . . . 0.0 112.952 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 t -65.2 -55.6 17.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.485 1.039 . . . . 0.0 108.856 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.1 m -65.47 -36.55 84.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.249 1.019 . . . . 0.0 112.419 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -57.44 115.79 2.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 122.151 0.977 . . . . 0.0 110.719 -159.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -25.88 68.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.636 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -102.97 171.89 7.13 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.134 0.973 . . . . 0.0 110.319 -169.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -118.31 -30.67 5.18 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 117.012 -1.47 . . . . 0.0 113.013 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.93 134.23 48.17 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 116.003 -2.279 . . . . 0.0 108.32 164.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.48 103.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.1 t -103.29 112.14 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.205 1.802 . . . . 0.0 107.784 -168.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.35 106.31 13.5 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.349 0.595 . . . . 0.0 111.135 -165.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.575 ' HA ' ' HG ' ' A' ' 82' ' ' SER 0.318 1.8 t70 -78.5 138.52 38.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 115.889 -2.005 . . . . 0.0 111.793 -176.043 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -119.6 26.18 9.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 175.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -62.26 -32.5 73.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.274 -0.892 . . . . 0.0 112.581 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.99 -8.28 58.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.118 0.872 . . . . 0.0 111.947 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.4 t -92.16 97.07 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 m -87.08 -15.41 38.6 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -141.77 146.33 35.83 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.85 0.86 . . . . 0.0 109.582 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.403 ' HG3' HG21 ' A' ' 23' ' ' ILE . 12.7 ttt -134.54 135.55 42.41 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 174.263 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -105.83 173.14 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.768 0.668 . . . . 0.0 109.408 167.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -22.75 13.81 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.595 -0.69 . . . . 0.0 112.494 167.633 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.97 89.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.572 1.149 . . . . 0.0 109.012 174.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.73 -47.66 89.86 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 124.991 1.282 . . . . 0.0 112.446 177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.18 -55.71 31.16 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 -178.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.69 -12.68 28.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 126.773 2.13 . . . . 0.0 114.675 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 68.6 m -102.56 -16.93 15.95 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 125.685 1.594 . . . . 0.0 110.867 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.41 -51.21 4.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.749 1.22 . . . . 0.0 109.005 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.65 -30.73 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.64 1.109 . . . . 0.0 112.098 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.19 -40.87 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.155 169.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.05 -21.67 25.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 C-N-CA 125.017 1.327 . . . . 0.0 110.263 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -57.88 -41.92 83.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.807 1.64 . . . . 0.0 109.467 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -72.12 -63.45 1.14 Allowed 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.42 -44.95 8.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.761 1.625 . . . . 0.0 112.491 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.1 -63.79 1.04 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.417 1.487 . . . . 0.0 110.316 168.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -45.28 -52.31 9.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.889 1.276 . . . . 0.0 111.309 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.61 -35.12 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 128.036 2.534 . . . . 0.0 109.312 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -105.06 7.98 34.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.574 1.15 . . . . 0.0 112.058 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.1 17.91 68.46 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.632 1.587 . . . . 0.0 113.405 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -98.51 159.95 14.61 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 120.958 -1.319 . . . . 0.0 108.937 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -100.73 -177.33 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.651 1.98 . . . . 0.0 109.438 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -159.56 132.8 7.01 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.662 -1.274 . . . . 0.0 109.434 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.7 152.54 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.195 2.198 . . . . 0.0 105.414 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.5 mt -114.18 154.15 28.36 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.62 0.768 . . . . 0.0 110.193 168.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.575 ' HG ' ' HA ' ' A' ' 50' ' ' ASP . 5.2 p -140.12 152.57 46.22 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 120.259 1.39 . . . . 0.0 110.2 -177.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.64 40.8 5.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 165.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.48 169.98 14.26 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 124.523 1.129 . . . . 0.0 110.665 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -103.23 157.89 16.69 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.694 167.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.48 -28.91 68.95 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.085 0.865 . . . . 0.0 109.166 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -62.84 -20.16 64.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.274 1.03 . . . . 0.0 112.405 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.89 -41.77 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.174 1.79 . . . . 0.0 107.733 -166.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.5 m -57.83 -45.84 85.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -59.1 -44.24 91.95 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.864 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -169.06 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.74 -44.67 96.38 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.39 -45.9 90.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 118.901 -2.374 . . . . 0.0 112.707 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -37.16 49.41 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.4 1.88 . . . . 0.0 110.748 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.26 62.3 m -102.96 14.88 30.89 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.041 0.936 . . . . 0.0 112.655 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.42 37.33 28.73 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 127.391 2.276 . . . . 0.0 112.142 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -97.08 -36.19 10.57 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.674 1.99 . . . . 0.0 109.815 -170.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.98 88.56 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -56.52 -19.01 13.51 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 178.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 6.5 pt -113.5 -2.23 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 126.088 1.755 . . . . 0.0 111.014 -175.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.51 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.2 m-85 -111.2 -171.58 1.86 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.858 2.863 . . . . 0.0 105.936 173.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -132.94 144.27 50.02 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 163.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.65 125.27 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.7 p -111.44 173.84 6.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.811 1.645 . . . . 0.0 108.4 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -53.2 5.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.6 p -110.87 161.37 15.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.65 1.18 . . . . 0.0 107.909 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.04 -22.9 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 165.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -73.47 -26.96 61.15 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.6 -1.26 55.71 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.186 0.903 . . . . 0.0 111.095 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.439 2.296 . . . . 0.0 110.347 177.612 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttt . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -148.64 -179.41 6.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.458 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -128.94 69.23 1.39 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.95 133.03 51.3 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' CG ' ' H ' ' A' ' 6' ' ' LEU . 32.0 tttt 161.65 177.53 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 131.307 3.843 . . . . 0.0 108.762 -162.235 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.41 ' H ' ' CG ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -133.21 151.7 51.94 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 127.205 2.202 . . . . 0.0 107.376 166.021 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -41.84 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.43 1.092 . . . . 0.0 110.161 -160.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.8 mt 61.64 115.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 129.378 3.071 . . . . 0.0 114.128 166.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.65 95.33 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 126.386 1.874 . . . . 0.0 108.538 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.63 121.09 15.14 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 120.58 -1.325 . . . . 0.0 107.803 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.561 ' CD ' ' H ' ' A' ' 12' ' ' ASP . 6.7 tm0? -84.72 -145.32 0.09 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.379 1.471 . . . . 0.0 107.785 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.561 ' H ' ' CD ' ' A' ' 11' ' ' GLN . 10.0 t70 -59.72 -60.21 4.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.249 1.42 . . . . 0.0 108.68 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -144.04 1.79 1.14 Allowed 'General case' 0 CA--C 1.54 0.564 0 O-C-N 125.053 1.471 . . . . 0.0 111.657 -173.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -121.39 143.62 49.11 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.755 2.022 . . . . 0.0 107.591 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.85 109.03 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 118.289 -0.862 . . . . 0.0 108.827 -175.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 50.2 mt -83.68 87.16 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.8 t -81.52 85.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 169.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.11 127.4 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.249 -1.759 . . . . 0.0 106.249 167.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.7 t -101.16 143.32 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 120.607 1.549 . . . . 0.0 106.879 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -112.74 164.81 12.91 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.424 0.69 . . . . 0.0 109.14 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.49 136.17 0.4 Allowed Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.509 2.004 . . . . 0.0 115.135 169.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -42.4 117.07 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 111.531 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.5 tt -82.23 127.32 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 127.612 2.365 . . . . 0.0 108.909 -171.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -168.76 177.07 5.25 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 120.433 -1.417 . . . . 0.0 110.17 -154.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -22.1 8.8 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.927 0.785 . . . . 0.0 112.165 168.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.44 -45.7 82.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 125.212 1.405 . . . . 0.0 112.333 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -97.98 -5.36 34.33 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 t -50.88 -26.58 6.01 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.799 1.64 . . . . 0.0 112.056 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -121.8 -7.79 8.99 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.237 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -78.99 -75.59 0.23 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 117.7 -1.143 . . . . 0.0 109.928 166.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -42.57 -45.17 4.47 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.901 1.682 . . . . 0.0 112.684 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -55.84 -47.28 77.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.315 176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.32 -43.58 70.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.631 0.65 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -63.31 -10.38 16.0 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.948 1.699 . . . . 0.0 112.175 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -117.21 -39.04 3.25 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 114.27 -2.776 . . . . 0.0 110.998 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -61.69 -41.94 98.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 123.757 2.981 . . . . 0.0 110.678 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -73.69 -39.46 64.37 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -71.44 -36.15 71.16 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -57.82 -31.37 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 120.519 1.508 . . . . 0.0 112.314 168.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -49.44 62.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.145 171.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -56.13 -48.03 77.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.531 1.059 . . . . 0.0 112.279 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.7 t -67.58 127.02 31.18 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 123.519 1.628 . . . . 0.0 109.399 -147.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -76.55 -28.21 56.2 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.45 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -97.88 148.48 23.38 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.311 1.444 . . . . 0.0 109.647 -175.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -94.5 -43.81 8.17 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.907 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 133.31 55.98 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 116.703 -1.617 . . . . 0.0 107.609 168.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 mm -124.21 105.05 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.26 129.83 51.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.086 1.754 . . . . 0.0 107.485 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -118.51 103.08 9.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.339 0.656 . . . . 0.0 109.886 -170.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.581 ' HA ' ' HG ' ' A' ' 82' ' ' SER . 10.2 t0 -77.07 131.89 38.62 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.966 -1.492 . . . . 0.0 108.261 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -112.38 14.22 20.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 121.405 1.911 . . . . 0.0 115.324 175.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 p -55.48 -29.46 58.8 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 120.684 -1.26 . . . . 0.0 112.844 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -93.13 9.6 35.25 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.331 1.052 . . . . 0.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.484 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 15.1 t -113.16 156.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.21 -28.97 0.19 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 119.607 1.094 . . . . 0.0 112.805 176.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -107.14 154.61 20.92 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.442 1.497 . . . . 0.0 108.481 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 10.8 ttt -147.75 121.66 9.37 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.423 1.077 . . . . 0.0 108.96 175.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -79.46 167.68 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.107 0.879 . . . . 0.0 110.124 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -46.76 -29.46 1.94 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.18 2.192 . . . . 0.0 111.713 161.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.16 76.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.942 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.94 -58.42 9.47 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 126.043 1.783 . . . . 0.0 111.883 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -68.57 -44.82 73.62 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.566 0.746 . . . . 0.0 109.204 -172.573 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.42 60.63 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.53 1.062 . . . . 0.0 112.721 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 17.7 m -90.32 -34.5 15.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 108.339 -179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.27 -37.27 21.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 118.813 0.733 . . . . 0.0 112.512 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.22 -20.55 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 120.423 -1.423 . . . . 0.0 111.856 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -40.45 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.801 0.84 . . . . 0.0 110.643 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.67 -27.8 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.243 1.417 . . . . 0.0 110.341 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -36.79 38.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.249 1.019 . . . . 0.0 110.001 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -82.14 -59.04 2.7 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 115.398 -2.239 . . . . 0.0 110.997 167.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.15 -49.02 4.89 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 122.281 2.309 . . . . 0.0 112.252 -172.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.91 16.11 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.424 1.49 . . . . 0.0 108.533 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -51.88 -37.55 52.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.373 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.5 mt -58.58 -46.12 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.611 1.551 . . . . 0.0 109.585 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -87.21 14.03 8.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.684 1.129 . . . . 0.0 111.665 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.62 46.57 93.99 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.765 -1.019 . . . . 0.0 110.788 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -116.47 149.72 39.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.962 1.305 . . . . 0.0 109.52 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.44 177.74 8.59 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.071 2.549 . . . . 0.0 110.241 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -160.76 122.66 3.09 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.354 1.062 . . . . 0.0 109.184 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.13 154.04 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 127.75 2.42 . . . . 0.0 107.195 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.7 mt -112.42 157.14 21.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.581 ' HG ' ' HA ' ' A' ' 50' ' ' ASP . 6.8 p -141.75 149.57 40.62 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.675 2.39 . . . . 0.0 109.989 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 m 66.74 60.66 0.55 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 170.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -103.2 170.19 8.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.48 -178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.484 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 19.8 mtmm -141.83 153.78 44.73 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -159.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.92 -28.58 69.03 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.01 0.819 . . . . 0.0 109.919 -170.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 m -81.99 0.68 39.04 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.196 0.999 . . . . 0.0 113.143 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -126.54 -40.39 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.133 1.373 . . . . 0.0 109.923 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.1 p -56.77 -46.38 81.5 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -56.56 -47.43 79.49 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.275 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mt -58.24 -48.61 84.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 120.866 1.666 . . . . 0.0 107.192 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.7 -43.39 93.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.55 -56.97 14.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.282 -1.511 . . . . 0.0 111.76 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.3 mt -45.04 -38.43 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 130.109 3.364 . . . . 0.0 111.666 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 m -97.5 8.31 44.86 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 59.52 24.25 12.96 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 127.755 2.422 . . . . 0.0 113.305 -174.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -82.24 -36.88 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.513 1.925 . . . . 0.0 111.009 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.62 -35.29 80.03 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.362 -0.836 . . . . 0.0 110.298 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -69.76 -6.84 34.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 175.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 pt -127.75 6.76 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.554 1.542 . . . . 0.0 111.025 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.26 -171.73 2.4 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 128.563 2.745 . . . . 0.0 106.804 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.67 139.39 49.06 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 121.556 -0.715 . . . . 0.0 109.306 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.3 mt -134.71 127.49 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -171.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.6 p -117.8 -174.4 2.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.35 2.26 . . . . 0.0 111.567 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -106.19 -59.37 1.79 Allowed 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.831 2.052 . . . . 0.0 106.049 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.2 p -102.21 151.51 22.13 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 t -59.03 -34.92 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 124.846 1.259 . . . . 0.0 108.505 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.345 0.658 . . . . 0.0 111.785 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.22 -0.44 22.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 112.471 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.828 0 C-N-CA 125.211 1.404 . . . . 0.0 109.581 -178.89 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.2 ttpp . . . . . 0 N--CA 1.443 -0.775 0 CA-C-O 121.219 0.533 . . . . 0.0 109.708 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.68 159.15 28.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.869 2.467 . . . . 0.0 109.039 169.617 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.42 -38.8 5.38 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.997 -1.065 . . . . 0.0 112.042 -175.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mt 56.54 112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 128.966 2.907 . . . . 0.0 114.753 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.8 t -141.43 105.65 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.894 1.677 . . . . 0.0 109.237 -167.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.58 115.56 9.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 -153.64 0.22 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.1 -54.05 17.01 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.102 0.961 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -138.79 6.58 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.894 1.331 . . . . 0.0 112.095 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -120.47 139.48 52.81 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.533 1.933 . . . . 0.0 107.181 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -108.17 107.42 18.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -175.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.6 mt -86.07 94.77 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-O 122.063 0.935 . . . . 0.0 109.345 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.34 86.15 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 15.8 mtm180 -68.45 139.93 55.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 117.907 -1.517 . . . . 0.0 107.623 169.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.12 154.3 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.75 135.96 46.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.964 1.706 . . . . 0.0 109.202 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.05 156.95 32.26 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.74 162.24 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.684 1.193 . . . . 0.0 110.513 161.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.42 HG22 ' CG1' ' A' ' 54' ' ' VAL . 3.7 tt -118.48 105.87 18.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.646 1.178 . . . . 0.0 110.722 -159.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -142.63 -160.43 1.1 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.352 1.061 . . . . 0.0 113.637 -169.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 28' ' ' SER . . . -49.18 -32.16 9.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.509 2.324 . . . . 0.0 114.449 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -67.34 -45.92 74.96 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.979 1.263 . . . . 0.0 109.559 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -28.75 69.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.805 0.842 . . . . 0.0 109.384 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -60.49 -15.67 29.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.098 1.499 . . . . 0.0 112.284 -172.467 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -121.66 -28.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 117.142 -1.409 . . . . 0.0 113.974 154.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.7 -71.55 0.1 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.416 1.462 . . . . 0.0 110.794 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.23 -35.77 67.74 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.401 1.001 . . . . 0.0 110.913 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -56.16 -46.87 79.14 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -65.18 -54.04 35.69 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.516 1.526 . . . . 0.0 111.089 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.578 ' CD ' HD21 ' A' ' 6' ' ' LEU . 12.7 mm-40 -65.59 0.2 1.73 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.822 2.049 . . . . 0.0 112.49 -175.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.9 mt -120.32 -52.25 2.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.957 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -56.98 -35.13 68.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 122.428 2.376 . . . . 0.0 110.514 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -77.74 -43.88 29.51 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.53 -44.1 87.94 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.886 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mt -54.71 -25.01 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 120.276 1.398 . . . . 0.0 113.635 171.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -56.29 6.12 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 171.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 m -55.97 -42.63 76.59 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.856 2.062 . . . . 0.0 112.51 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.479 HG21 HD11 ' A' ' 47' ' ' ILE . 14.9 t -59.03 125.44 23.63 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.426 1.108 . . . . 0.0 111.084 -155.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -31.89 68.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.686 1.195 . . . . 0.0 108.612 170.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 1.5 mptp? -99.77 133.22 44.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 118.955 0.798 . . . . 0.0 110.552 -175.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -77.21 -36.0 55.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.433 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -81.04 89.7 5.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.924 1.238 . . . . 0.0 110.076 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 42' ' ' THR . 18.1 mm -80.01 96.3 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -171.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 t -86.08 136.58 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.82 143.77 34.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 19.1 t70 -118.14 119.37 34.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.103 1.361 . . . . 0.0 110.704 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.5 21.59 14.98 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 123.386 0.674 . . . . 0.0 111.394 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 t -58.31 -29.48 65.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.811 1.244 . . . . 0.0 111.628 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -99.07 3.55 46.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.29 1.436 . . . . 0.0 112.164 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 23' ' ' ILE . 40.7 t -91.97 89.71 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -75.11 -24.95 58.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -142.08 155.8 45.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.075 1.75 . . . . 0.0 107.783 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 ttt -140.73 132.46 27.33 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.784 1.634 . . . . 0.0 109.5 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.54 166.38 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.987 1.715 . . . . 0.0 108.836 169.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -26.72 8.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.275 1.03 . . . . 0.0 112.265 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.12 48.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.733 1.613 . . . . 0.0 109.683 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.42 -64.62 1.52 Allowed Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 126.193 1.854 . . . . 0.0 111.474 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -38.36 77.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.984 -159.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.26 -29.87 75.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.154 0.909 . . . . 0.0 111.862 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -81.56 -23.61 37.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.174 0.99 . . . . 0.0 109.073 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -46.37 9.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 119.63 1.105 . . . . 0.0 110.533 176.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.37 -30.05 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 119.326 0.967 . . . . 0.0 113.259 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.55 -30.88 51.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.638 -1.289 . . . . 0.0 111.165 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.43 -18.03 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.66 0.784 . . . . 0.0 110.049 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.14 -39.67 90.94 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 120.341 -1.474 . . . . 0.0 109.964 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -69.57 -55.54 9.84 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 115.994 -1.955 . . . . 0.0 109.293 168.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 74' ' ' ILE . 89.4 m-20 -50.76 -40.8 55.83 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 122.126 2.239 . . . . 0.0 112.925 -173.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.49 46.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.782 -1.199 . . . . 0.0 109.361 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -16.9 52.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.607 1.963 . . . . 0.0 113.471 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ASP . 75.1 mt -71.1 -29.1 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 120.953 1.706 . . . . 0.0 109.031 170.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -113.45 12.11 18.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.833 0.853 . . . . 0.0 112.99 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.46 51.28 57.38 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.314 1.435 . . . . 0.0 111.514 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -107.19 154.75 20.75 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.836 0.855 . . . . 0.0 109.575 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 173.76 8.94 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.874 1.27 . . . . 0.0 108.35 174.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -155.47 124.63 6.22 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.634 -0.667 . . . . 0.0 111.649 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.78 150.52 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.189 1.796 . . . . 0.0 107.159 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.3 mt -113.02 142.37 45.79 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.56 1.544 . . . . 0.0 107.687 170.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.82 164.11 31.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.096 0.474 . . . . 0.0 111.615 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t 60.94 27.07 16.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 113.41 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 103' ' ' ILE . 25.4 mt -62.91 129.66 41.37 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 120.751 -1.218 . . . . 0.0 110.625 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -66.35 151.54 46.9 Favored 'General case' 0 CA--C 1.492 -1.283 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.285 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -66.74 -28.38 68.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.703 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 t -70.05 -8.86 52.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.163 1.385 . . . . 0.0 113.141 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mm -120.97 -38.44 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 126.156 1.783 . . . . 0.0 108.63 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 m -54.87 -52.91 61.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.9 0.857 . . . . 0.0 108.857 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.27 -37.95 65.3 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.78 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -51.55 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.57 -50.59 71.46 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -56.76 -50.91 70.84 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.953 -1.092 . . . . 0.0 111.834 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 mt -54.05 -53.7 49.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.727 1.611 . . . . 0.0 109.937 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -80.51 18.85 0.86 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.425 1.09 . . . . 0.0 112.118 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 55.37 19.34 3.01 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 127.856 2.462 . . . . 0.0 115.297 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -76.83 -38.47 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.858 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -46.85 88.58 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.126 0.57 . . . . 0.0 109.703 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HE3' HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -57.58 -13.4 3.77 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 176.587 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' A' ' 99' ' ' LYS . 10.1 pt -125.57 9.75 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.253 1.821 . . . . 0.0 111.398 -174.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.1 m-85 -120.98 -158.09 0.74 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.008 2.123 . . . . 0.0 108.293 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -141.07 133.18 27.88 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 124.935 1.294 . . . . 0.0 108.268 169.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.464 HG23 HD12 ' A' ' 84' ' ' LEU . 4.0 mp -127.75 133.4 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 O-C-N 124.816 1.322 . . . . 0.0 109.257 -176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -133.28 -176.44 4.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.193 1.797 . . . . 0.0 111.195 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.13 -34.93 6.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.936 1.294 . . . . 0.0 111.392 -161.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 49.8 p -128.85 153.27 47.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.144 1.778 . . . . 0.0 106.55 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.16 -22.7 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.489 -1.382 . . . . 0.0 110.692 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.82 -32.11 73.17 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.234 -0.916 . . . . 0.0 112.717 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -2.57 56.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.541 1.064 . . . . 0.0 112.457 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.905 1.682 . . . . 0.0 109.366 172.695 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -125.15 165.03 18.98 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 125.875 1.67 . . . . 0.0 108.263 173.307 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -119.59 -39.28 2.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.15 1.38 . . . . 0.0 109.943 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.5 mt 64.35 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 130.38 3.472 . . . . 0.0 114.371 167.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.96 83.18 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 127.586 2.355 . . . . 0.0 106.979 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.89 110.27 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 120.33 -1.481 . . . . 0.0 108.528 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -148.64 0.05 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -80.9 -52.68 7.19 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.28 -1.513 . . . . 0.0 110.986 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.75 -5.12 5.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.974 1.31 . . . . 0.0 112.738 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -113.32 124.57 52.78 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.255 1.822 . . . . 0.0 107.315 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -89.6 99.08 12.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.95 125.67 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.49 HG11 HD22 ' A' ' 6' ' ' LEU . 84.6 t -111.11 93.63 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 168.473 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.79 120.02 6.69 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 162.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.95 161.29 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 170.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -135.79 145.22 46.29 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.378 1.471 . . . . 0.0 109.591 163.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.52 153.35 29.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 125.202 1.382 . . . . 0.0 110.32 170.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.66 165.44 1.65 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 122.06 0.933 . . . . 0.0 110.071 156.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -130.67 134.13 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.168 0.987 . . . . 0.0 108.658 -167.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -160.39 -173.75 4.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -167.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -19.46 61.49 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.396 1.478 . . . . 0.0 113.708 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.35 -14.98 39.26 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 119.973 1.261 . . . . 0.0 109.774 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.14 -14.0 13.46 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.68 1.592 . . . . 0.0 111.189 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -64.43 -4.96 4.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -116.18 -24.44 8.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.403 1.001 . . . . 0.0 111.133 160.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.63 -71.93 0.16 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.085 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.4 tp -51.5 -41.4 60.94 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.009 1.277 . . . . 0.0 110.702 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HA ' HD11 ' A' ' 68' ' ' ILE . 28.9 ttpt -54.82 -50.01 69.63 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.984 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.68 -49.23 78.56 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.555 1.142 . . . . 0.0 112.174 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.506 ' HB3' HD11 ' A' ' 6' ' ' LEU . 3.7 mm-40 -58.31 -16.0 12.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.781 1.632 . . . . 0.0 110.907 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.95 -45.26 2.98 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-O 114.428 -2.701 . . . . 0.0 112.235 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -41.68 64.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 123.974 3.079 . . . . 0.0 110.402 171.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -75.11 -34.9 61.75 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -171.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -73.8 -43.64 58.25 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.318 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' A' ' 42' ' ' THR . 7.1 mt -53.07 -40.02 35.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 120.016 1.28 . . . . 0.0 111.464 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.4 t -53.42 -55.78 22.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.52 1.528 . . . . 0.0 109.244 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.5 m -57.81 -54.62 44.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.326 1.451 . . . . 0.0 112.25 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 39' ' ' ILE 0.251 9.9 t -64.85 136.89 57.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 122.952 1.358 . . . . 0.0 113.618 -136.03 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 m -78.99 -1.4 35.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.904 1.682 . . . . 0.0 113.003 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.665 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 1.1 mptp? -119.47 161.37 20.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.873 -1.142 . . . . 0.0 109.353 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -49.83 3.7 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.995 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HE3' ' CD1' ' A' ' 80' ' ' ILE . 4.6 tttp -74.0 94.07 2.31 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 117.604 -1.188 . . . . 0.0 110.598 -172.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.6 mm -83.78 110.38 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.38 116.42 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.01 1.724 . . . . 0.0 109.74 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 109.31 14.51 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -164.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -91.14 118.69 30.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 127.424 2.289 . . . . 0.0 110.143 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD21 HD22 ' A' ' 81' ' ' LEU . 1.1 mm? -107.5 23.73 14.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.728 1.604 . . . . 0.0 113.3 -170.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.0 p -58.1 -26.01 62.05 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -86.26 -7.09 58.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.854 1.262 . . . . 0.0 112.045 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -93.11 79.4 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -164.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -72.69 -18.49 61.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.751 1.62 . . . . 0.0 113.509 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -145.38 156.6 43.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.536 1.535 . . . . 0.0 107.426 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttt -143.85 139.61 29.36 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.38 171.81 7.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.144 1.378 . . . . 0.0 108.904 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 m -55.88 -16.55 4.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.019 0.928 . . . . 0.0 113.334 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.78 39.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.895 0.878 . . . . 0.0 111.835 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.62 -49.7 23.22 Favored Glycine 0 C--O 1.224 -0.49 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -169.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -61.18 -45.87 92.83 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.456 1.502 . . . . 0.0 109.958 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.7 47.62 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.673 1.606 . . . . 0.0 114.021 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.2 m -100.41 -47.05 5.04 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.568 2.347 . . . . 0.0 107.283 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 mt -57.58 -46.44 83.98 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 120.262 1.392 . . . . 0.0 110.195 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.71 -25.88 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.6 -47.49 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.2 1.0 . . . . 0.0 108.764 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 32' ' ' LYS . 35.9 mm -67.54 -35.63 73.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.159 -169.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -39.97 68.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.071 1.305 . . . . 0.0 110.558 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -63.15 -64.84 0.79 Allowed 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.76 -46.32 2.64 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.859 2.064 . . . . 0.0 112.955 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.12 -63.63 1.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.455 1.902 . . . . 0.0 108.478 173.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -43.54 65.93 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.584 1.154 . . . . 0.0 112.28 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.2 mt -55.05 -27.99 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 126.176 1.791 . . . . 0.0 109.833 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -113.44 19.61 16.78 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.33 30.46 58.6 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.628 1.109 . . . . 0.0 113.364 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -115.4 172.44 7.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.119 1.459 . . . . 0.0 109.191 -172.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -128.31 170.95 12.47 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.855 2.062 . . . . 0.0 108.812 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -150.43 130.59 13.57 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.362 0.983 . . . . 0.0 111.714 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.623 HG23 ' HG2' ' A' ' 102' ' ' LYS . 36.4 mt -144.07 145.3 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.684 1.594 . . . . 0.0 107.067 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 51' ' ' LEU . 95.7 mt -109.24 148.81 30.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.891 1.676 . . . . 0.0 108.827 171.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 p -139.72 160.83 38.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.82 1.248 . . . . 0.0 110.276 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.5 33.59 19.21 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.014 -1.054 . . . . 0.0 113.303 171.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 103' ' ' ILE . 6.4 mt -68.93 138.67 54.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.405 -0.81 . . . . 0.0 109.742 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -69.34 147.32 51.27 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.09 -39.16 71.7 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.115 0.884 . . . . 0.0 109.62 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 m -71.04 -17.82 62.6 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.68 -35.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 m -57.93 -49.54 76.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.284 -0.885 . . . . 0.0 109.304 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.58 -36.38 69.28 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.483 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.1 -51.62 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 -172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.95 -51.62 68.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -53.48 -49.28 67.8 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.719 0.808 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.44 -58.32 8.22 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 126.802 2.041 . . . . 0.0 111.492 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.8 m -73.27 3.39 5.84 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 76.1 32.34 0.62 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 128.797 2.839 . . . . 0.0 111.436 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mp -85.86 -41.21 15.19 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.872 1.269 . . . . 0.0 111.594 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -33.38 75.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.044 1.293 . . . . 0.0 109.903 -168.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -24.82 66.65 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 171.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.68 3.87 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 120.268 1.394 . . . . 0.0 111.562 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.11 -166.86 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.419 2.288 . . . . 0.0 106.378 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.623 ' HG2' HG23 ' A' ' 80' ' ' ILE . 15.3 tttt -137.53 134.49 35.74 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.261 1.424 . . . . 0.0 107.617 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 84' ' ' LEU . 4.0 mp -132.74 130.74 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 125.411 1.484 . . . . 0.0 108.716 -170.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.468 HG21 ' HA ' ' A' ' 110' ' ' ALA . 65.5 p -131.96 176.53 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.645 1.178 . . . . 0.0 111.435 171.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.34 -55.37 4.36 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.7 p -113.41 167.05 10.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.222 1.009 . . . . 0.0 108.333 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.12 -20.4 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.705 167.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.53 -56.6 18.24 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.521 1.128 . . . . 0.0 109.672 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -9.27 52.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.468 ' HA ' HG21 ' A' ' 104' ' ' THR . . . . . . . . 0 C--O 1.253 1.254 0 C-N-CA 128.849 2.86 . . . . 0.0 112.283 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.325 0 CA-C-O 123.132 1.444 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.43 144.4 51.37 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 128.928 2.891 . . . . 0.0 105.494 165.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.26 -42.67 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.007 1.323 . . . . 0.0 109.555 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt 60.06 123.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 129.082 2.953 . . . . 0.0 114.201 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.63 80.63 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 127.221 2.208 . . . . 0.0 106.325 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -57.88 119.07 6.06 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -103.87 -162.71 0.92 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.939 1.696 . . . . 0.0 109.55 -176.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -59.63 -52.7 64.39 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.232 0.613 . . . . 0.0 110.506 -159.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.88 9.52 3.58 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.808 1.243 . . . . 0.0 110.587 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -132.69 133.23 43.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.533 1.533 . . . . 0.0 109.041 -168.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -92.2 111.47 23.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.68 99.03 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.19 93.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 163.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -69.89 116.22 10.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 116.63 -2.028 . . . . 0.0 106.143 162.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.579 HG11 ' CG2' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -65.43 166.48 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 171.557 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 40.9 mt-30 -133.89 136.7 44.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.877 0.871 . . . . 0.0 109.621 155.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 142.03 12.73 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.928 1.252 . . . . 0.0 114.406 164.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -54.46 136.18 44.65 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 127.613 2.365 . . . . 0.0 110.014 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG23 ' HA ' ' A' ' 57' ' ' MET . 10.1 tt -96.19 115.82 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.644 0.735 . . . . 0.0 109.146 -169.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -134.46 -162.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 110.154 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.33 73.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.306 1.442 . . . . 0.0 113.422 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -63.39 -45.43 91.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 120.141 1.337 . . . . 0.0 107.77 172.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -78.44 -16.02 58.02 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -65.49 -18.13 65.08 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 123.796 0.838 . . . . 0.0 110.79 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -116.05 -22.91 8.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.63 166.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.31 -67.29 0.48 Allowed 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.35 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -47.77 -44.58 28.42 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 121.088 1.767 . . . . 0.0 110.843 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HB2' HG23 ' A' ' 64' ' ' THR . 20.6 ttmt -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.993 1.317 . . . . 0.0 108.811 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.11 -55.37 33.25 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 126.252 1.821 . . . . 0.0 111.645 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -57.29 -27.3 62.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.689 1.196 . . . . 0.0 109.47 -171.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.84 -47.84 7.38 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-O 114.399 -2.715 . . . . 0.0 111.689 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.68 -33.31 72.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 124.106 3.139 . . . . 0.0 111.678 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -66.16 -48.55 70.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.13 -47.32 86.76 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.213 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.18 -31.15 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.65 1.18 . . . . 0.0 111.555 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -57.47 11.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.995 1.318 . . . . 0.0 108.782 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -65.98 -35.3 80.22 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.083 1.753 . . . . 0.0 114.067 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 t -63.77 124.97 22.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 123.475 1.607 . . . . 0.0 111.598 -152.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -81.03 3.98 21.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 113.99 -1.459 . . . . 0.0 112.065 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 62.5 mmtt -128.8 142.78 50.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 126.937 2.095 . . . . 0.0 108.63 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -89.73 -41.32 11.96 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.89 -173.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -57.41 128.1 35.34 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 116.749 -1.596 . . . . 0.0 109.444 169.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -117.47 103.19 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.89 132.34 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.07 103.65 10.45 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 124.032 0.933 . . . . 0.0 110.491 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.523 ' O ' HG12 ' A' ' 19' ' ' VAL . 23.4 t0 -75.34 120.89 21.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.467 -1.73 . . . . 0.0 108.802 174.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.878 HD21 HD22 ' A' ' 81' ' ' LEU . 1.6 mm? -103.1 19.44 19.54 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 122.125 2.239 . . . . 0.0 113.176 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t -55.24 -31.94 61.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.962 -0.461 . . . . 0.0 111.637 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 1.1 t -87.16 2.79 48.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 112.383 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.579 ' CG2' HG11 ' A' ' 19' ' ' VAL . 2.6 t -119.4 90.76 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -87.57 -20.14 26.85 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.662 1.985 . . . . 0.0 114.741 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -124.31 166.29 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.005 2.122 . . . . 0.0 107.99 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.427 ' HA ' HG23 ' A' ' 23' ' ' ILE . 9.9 ttt -160.85 140.11 10.51 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.74 169.86 9.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.736 0.814 . . . . 0.0 110.401 172.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.8 m -56.57 -17.89 10.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.292 1.037 . . . . 0.0 112.462 167.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.99 69.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.779 1.172 . . . . 0.0 109.246 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' O ' HD23 ' A' ' 65' ' ' LEU . . . -51.66 -53.36 29.53 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 126.258 1.885 . . . . 0.0 110.532 -176.417 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -35.06 76.36 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 118.285 -2.891 . . . . 0.0 110.879 -168.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.47 -26.07 69.26 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.362 0.982 . . . . 0.0 112.882 169.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.506 HG23 ' HB2' ' A' ' 32' ' ' LYS . 12.2 m -69.27 -54.76 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 106.543 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 61' ' ' GLY . 1.7 mm? -63.39 -45.17 92.31 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.929 1.292 . . . . 0.0 109.832 -171.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -71.34 -15.92 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 120.957 -1.089 . . . . 0.0 113.773 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -34.89 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.616 -0.678 . . . . 0.0 110.972 167.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.14 -31.7 55.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 123.575 0.75 . . . . 0.0 109.961 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -10.7 53.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.48 -1.388 . . . . 0.0 112.165 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -90.13 -72.85 0.54 Allowed 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 167.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.56 -41.31 2.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.863 1.665 . . . . 0.0 114.575 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.74 -59.88 3.45 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 126.65 1.98 . . . . 0.0 109.524 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -45.39 35.79 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.648 1.579 . . . . 0.0 111.012 174.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.49 -29.88 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.733 2.013 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.84 12.57 32.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.985 1.314 . . . . 0.0 112.47 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.78 39.94 65.31 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.884 1.23 . . . . 0.0 112.358 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.22 159.69 26.77 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.366 1.083 . . . . 0.0 111.855 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.05 -176.21 6.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 127.453 2.301 . . . . 0.0 110.361 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -167.8 124.98 1.14 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.901 1.68 . . . . 0.0 109.277 171.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.5 mt -142.75 148.88 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 129.097 2.959 . . . . 0.0 105.528 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 HD21 ' A' ' 51' ' ' LEU . 51.4 mt -116.79 142.36 47.02 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.196 0.999 . . . . 0.0 108.965 172.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.3 167.76 21.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.018 0.527 . . . . 0.0 111.638 172.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 58.07 31.11 20.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.805 2.042 . . . . 0.0 112.746 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.543 ' HG ' HD23 ' A' ' 51' ' ' LEU . 12.0 mt -66.43 128.42 36.11 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.15 -0.969 . . . . 0.0 110.921 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -71.67 146.61 48.14 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.702 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -68.09 -20.31 64.93 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.844 -171.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 -0.79 51.4 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.952 173.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -117.98 -37.21 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 126.437 1.895 . . . . 0.0 108.251 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -57.07 -48.23 79.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -54.54 -37.3 65.25 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 112.59 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -48.84 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -171.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -55.2 -51.19 67.36 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -55.89 -50.45 70.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.944 0.898 . . . . 0.0 111.237 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.6 mt -50.82 -45.26 59.38 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.09 2.156 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -99.1 27.58 4.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.221 1.408 . . . . 0.0 110.664 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 54.42 26.16 6.79 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 129.103 2.961 . . . . 0.0 115.902 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.06 -39.26 14.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 124.404 1.082 . . . . 0.0 112.878 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.03 -37.36 86.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.502 1.046 . . . . 0.0 109.847 -174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.554 ' HE2' HG23 ' A' ' 100' ' ' ILE . 4.8 ptmt -60.4 -7.12 1.85 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.539 -1.696 . . . . 0.0 114.45 172.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.554 HG23 ' HE2' ' A' ' 99' ' ' LYS . 21.5 pt -139.14 -9.34 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.715 2.052 . . . . 0.0 113.564 -173.249 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -98.8 -177.57 3.69 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.805 1.642 . . . . 0.0 108.409 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.6 118.55 33.43 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.506 -0.746 . . . . 0.0 110.97 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 84' ' ' LEU . 5.2 mp -126.67 129.44 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 109.598 -173.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 175.59 8.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.803 1.641 . . . . 0.0 109.704 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.31 -64.03 1.18 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 p -103.24 146.44 28.43 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.81 -32.13 42.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.483 -0.761 . . . . 0.0 109.664 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.29 -36.28 68.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.084 0.954 . . . . 0.0 112.36 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.13 -1.27 31.75 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.649 -178.915 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.873 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.29 152.59 18.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 172.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -23.35 7.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.781 0.832 . . . . 0.0 111.931 -162.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mt 42.22 110.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 130.525 3.53 . . . . 0.0 114.837 163.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -135.69 95.93 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 126.812 2.045 . . . . 0.0 107.551 -170.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.88 116.79 13.8 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.262 -1.523 . . . . 0.0 108.351 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -151.4 0.19 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.014 1.325 . . . . 0.0 108.971 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.98 -57.32 8.07 Favored 'General case' 0 CA--C 1.517 -0.315 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -172.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -139.07 10.14 2.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 123.598 1.666 . . . . 0.0 113.214 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -120.79 136.57 54.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 129.368 3.067 . . . . 0.0 107.201 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 115.55 28.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.964 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -82.85 92.88 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.5 t -79.21 89.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 166.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -67.65 133.16 48.87 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 165.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -98.06 159.25 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 173.458 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -132.74 145.06 50.71 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 125.147 1.379 . . . . 0.0 108.441 165.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.87 149.7 26.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 126.437 1.97 . . . . 0.0 110.166 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.8 159.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 110.164 147.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' CG1' ' A' ' 54' ' ' VAL . 5.6 tt -122.91 118.06 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 C-N-CA 127.767 2.427 . . . . 0.0 107.324 -172.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -136.3 -175.99 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.049 -1.032 . . . . 0.0 112.862 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.33 -31.09 68.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.813 1.645 . . . . 0.0 113.483 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -76.43 -34.45 58.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.689 1.132 . . . . 0.0 109.918 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -80.76 -10.1 59.75 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.657 1.183 . . . . 0.0 108.347 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 5.6 t -68.02 -6.12 20.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 126.862 2.065 . . . . 0.0 113.008 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -111.51 -25.04 9.79 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 119.596 1.089 . . . . 0.0 110.78 163.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.75 -67.49 0.55 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.983 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -49.74 -44.85 48.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.64 2.018 . . . . 0.0 111.12 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE2' ' HA ' ' A' ' 64' ' ' THR . 29.6 ttmt -50.85 -55.73 15.59 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.087 0.867 . . . . 0.0 110.27 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 36' ' ' ARG . 3.7 pt-20 -63.38 -43.29 98.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HB3' HD21 ' A' ' 6' ' ' LEU . 3.6 mm100 -64.52 -24.57 67.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.205 0.602 . . . . 0.0 110.118 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.59 -44.41 11.26 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-O 114.478 -2.677 . . . . 0.0 111.71 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.02 -36.71 75.44 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 125.213 3.642 . . . . 0.0 110.631 174.387 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -67.34 -43.52 81.36 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -76.73 -44.09 34.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.085 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.3 mp -49.58 -37.29 11.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 120.672 1.578 . . . . 0.0 111.366 168.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -14.12 60.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.068 1.304 . . . . 0.0 112.816 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -84.76 -53.82 5.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 120.303 1.41 . . . . 0.0 110.107 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.501 HG21 HD11 ' A' ' 47' ' ' ILE . 8.8 t -51.23 113.42 0.93 Allowed 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.775 2.03 . . . . 0.0 111.135 -141.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 t -62.12 -35.46 78.79 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.123 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.73 144.37 25.58 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.445 -0.784 . . . . 0.0 110.11 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -78.33 -42.47 30.52 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 117.768 -1.111 . . . . 0.0 113.119 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 2.1 ttpm? -81.57 92.69 6.57 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 117.437 -1.268 . . . . 0.0 110.745 -164.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 42' ' ' THR . 12.8 mm -85.24 103.3 12.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -171.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -94.76 138.1 21.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.59 111.03 19.31 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 110.144 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 83' ' ' SER . 9.9 t0 -90.61 114.41 26.66 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.182 -1.389 . . . . 0.0 109.391 -173.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.597 HD12 HD11 ' A' ' 84' ' ' LEU . 22.3 mt -107.85 24.35 13.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 120.634 1.561 . . . . 0.0 113.31 -166.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -64.35 -19.69 65.63 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.888 1.675 . . . . 0.0 113.145 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 m -105.38 -5.47 20.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.736 1.614 . . . . 0.0 111.037 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG2' HG11 ' A' ' 19' ' ' VAL . 42.6 t -82.26 101.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -92.73 -28.1 16.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -173.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -135.98 152.81 51.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.97 1.308 . . . . 0.0 107.626 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 ttt -147.88 132.57 17.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.01 1.724 . . . . 0.0 108.173 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.28 -179.3 4.32 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.315 0.646 . . . . 0.0 109.535 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -66.24 -6.89 15.29 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.968 -1.082 . . . . 0.0 112.827 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.74 82.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.645 0.778 . . . . 0.0 109.653 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.3 -35.17 77.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 125.268 1.413 . . . . 0.0 110.95 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.02 -58.73 7.29 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.78 -5.49 13.75 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.418 2.437 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.438 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.1 m -96.59 -16.56 20.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.43 -1.041 . . . . 0.0 110.563 174.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -118.08 -43.32 2.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.737 1.215 . . . . 0.0 110.72 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.6 -27.91 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 123.48 0.712 . . . . 0.0 110.264 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -43.18 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.638 0.775 . . . . 0.0 110.241 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mm -67.39 -22.23 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 124.116 0.966 . . . . 0.0 110.339 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.37 -39.59 70.28 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 119.171 0.896 . . . . 0.0 110.618 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -71.13 -63.95 1.0 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.468 170.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.43 -44.99 12.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.7 1.136 . . . . 0.0 113.607 -171.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.5 44.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.818 1.647 . . . . 0.0 110.781 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -43.09 59.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.503 1.121 . . . . 0.0 111.364 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.4 mt -54.69 -47.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 119.095 0.862 . . . . 0.0 109.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -86.03 -0.75 56.33 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.474 0.654 . . . . 0.0 111.531 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.02 41.17 72.06 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.201 1.381 . . . . 0.0 111.182 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -112.04 152.94 27.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.043 0.921 . . . . 0.0 109.207 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 46' ' ' LYS . 3.9 tp10 -83.06 -179.85 7.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.649 1.179 . . . . 0.0 109.514 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -157.82 128.63 6.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.182 -0.949 . . . . 0.0 110.907 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.467 HG23 ' HG2' ' A' ' 102' ' ' LYS . 75.5 mt -145.57 156.14 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 128.25 2.62 . . . . 0.0 105.545 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 51' ' ' LEU . 55.2 mt -117.77 148.44 42.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 168.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.55 163.43 32.86 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.838 0.855 . . . . 0.0 110.595 171.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.414 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 0.2 OUTLIER 60.16 64.11 1.3 Allowed 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.8 1.64 . . . . 0.0 114.64 173.197 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD11 HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -91.77 149.54 21.55 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.293 -0.879 . . . . 0.0 110.359 -175.104 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -79.64 154.31 28.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.23 -31.66 71.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.319 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.0 m -76.74 -19.16 57.97 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.577 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mm -97.74 -38.33 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -46.26 90.96 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -56.76 -38.64 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.554 -1.341 . . . . 0.0 112.15 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.77 -46.69 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -173.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.44 -44.21 96.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -58.61 -53.64 56.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.562 1.074 . . . . 0.0 111.187 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -49.33 -57.03 7.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 127.295 2.238 . . . . 0.0 109.992 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.11 16.26 2.47 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.961 0.904 . . . . 0.0 112.367 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.45 4.58 0.52 Allowed 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 129.494 3.117 . . . . 0.0 114.724 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.64 -35.94 71.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.065 1.302 . . . . 0.0 112.254 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.7 -22.51 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.454 0.57 . . . . 0.0 111.677 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.58 2.09 46.41 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.533 172.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 pt -131.01 -25.11 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.449 1.477 . . . . 0.0 111.866 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -82.45 -175.12 5.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.862 2.065 . . . . 0.0 109.43 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HG2' HG23 ' A' ' 80' ' ' ILE . 30.7 tttt -125.85 128.02 46.98 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 124.666 1.187 . . . . 0.0 107.81 171.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.29 115.66 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 125.047 1.467 . . . . 0.0 107.868 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.65 178.52 4.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.312 1.845 . . . . 0.0 110.389 176.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.02 -42.96 8.0 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 120.707 -1.246 . . . . 0.0 111.121 -169.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 p -121.14 152.25 38.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.08 -15.78 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 121.545 -0.722 . . . . 0.0 111.373 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.08 -35.05 56.85 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.157 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -28.84 65.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 120.127 1.331 . . . . 0.0 110.807 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.507 1.523 . . . . 0.0 110.27 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mttp . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.61 159.99 19.81 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -38.73 5.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 124.15 0.98 . . . . 0.0 110.99 -165.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 77.6 mt 62.26 116.52 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 127.116 2.166 . . . . 0.0 113.522 165.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.22 91.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 125.89 1.676 . . . . 0.0 107.067 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.65 115.73 7.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.494 -1.379 . . . . 0.0 109.562 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -158.95 0.18 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 4.3 m-20 -63.6 -59.68 4.3 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.301 1.84 . . . . 0.0 111.026 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -135.04 3.65 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 0.0 111.956 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -115.26 135.45 54.14 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 120.552 -1.342 . . . . 0.0 109.664 166.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 110.35 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 117.971 -1.014 . . . . 0.0 108.496 170.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.7 92.68 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 119.466 1.03 . . . . 0.0 108.513 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG11 HD21 ' A' ' 35' ' ' LEU . 47.3 t -86.69 90.38 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 123.549 1.642 . . . . 0.0 108.146 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 31.5 mtm180 -73.36 120.07 18.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.038 175.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.04 154.76 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -129.74 127.25 40.04 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.703 1.601 . . . . 0.0 109.94 159.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 169.65 14.02 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 107.83 -2.108 . . . . 0.0 107.83 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -69.81 -169.96 0.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 129.736 3.214 . . . . 0.0 109.309 166.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.515 HD13 HD13 ' A' ' 31' ' ' LEU . 4.9 tp -145.03 96.85 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 120.224 -1.548 . . . . 0.0 110.963 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -133.9 -175.52 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.999 1.32 . . . . 0.0 112.04 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.81 10.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.825 2.05 . . . . 0.0 114.89 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -87.95 -33.11 18.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.896 1.225 . . . . 0.0 109.8 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.05 -15.87 49.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 -2.1 0.21 Allowed 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 170.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -120.19 -35.37 3.47 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.647 -1.168 . . . . 0.0 112.191 156.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.94 -58.37 6.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.487 1.039 . . . . 0.0 109.898 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 31' ' ' LEU . 6.3 tt -55.06 -50.73 68.4 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.261 0.937 . . . . 0.0 108.509 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -52.65 -42.24 64.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.447 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -76.12 -39.63 54.7 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.363 0.665 . . . . 0.0 110.604 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.17 -43.91 61.4 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD21 HG11 ' A' ' 17' ' ' VAL . 88.5 mt -84.96 -46.79 10.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 115.862 -2.018 . . . . 0.0 113.086 -172.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -31.37 61.87 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.982 2.628 . . . . 0.0 110.886 175.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -72.76 -53.45 11.57 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.403 1.081 . . . . 0.0 109.382 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -69.55 -41.42 75.92 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.742 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -45.27 -35.27 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.696 1.134 . . . . 0.0 113.124 170.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -46.55 56.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.672 1.124 . . . . 0.0 110.56 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -39.82 92.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.629 -0.701 . . . . 0.0 111.878 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -65.27 134.43 53.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 119.331 -0.947 . . . . 0.0 112.022 -154.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.69 4.99 26.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 128.299 2.64 . . . . 0.0 112.194 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 12' ' ' ASP . 3.4 mptt -126.92 155.14 43.53 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 120.468 1.485 . . . . 0.0 108.431 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -86.85 -42.48 13.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.399 -1.728 . . . . 0.0 110.009 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -79.75 86.78 5.29 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.942 1.246 . . . . 0.0 111.957 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.83 93.53 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.5 t -83.72 147.62 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.25 150.53 36.04 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.4 t0 -123.0 118.51 27.95 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -115.31 20.8 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.019 1.327 . . . . 0.0 111.212 -168.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -26.24 64.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 126.715 2.006 . . . . 0.0 112.863 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -89.06 -6.55 57.03 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.193 1.397 . . . . 0.0 113.033 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -89.66 103.03 13.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -30.99 22.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.742 1.217 . . . . 0.0 111.361 173.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -135.49 150.24 49.74 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 126.025 1.73 . . . . 0.0 109.603 -173.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.442 ' HG3' HG23 ' A' ' 23' ' ' ILE . 8.2 ttm -139.04 129.45 25.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.348 1.059 . . . . 0.0 108.572 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.92 160.87 23.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.2 m -57.06 2.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 115.258 167.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.78 -10.6 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 120.288 1.404 . . . . 0.0 113.655 167.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -51.54 -61.02 6.71 Favored Glycine 0 C--O 1.204 -1.74 0 CA-C-O 123.957 1.865 . . . . 0.0 109.381 170.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.695 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -52.14 -38.04 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 118.445 -2.797 . . . . 0.0 114.108 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 62' ' ' LEU . . . -71.09 -19.12 77.0 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 24.2 m -72.93 -51.18 19.48 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.226 2.21 . . . . 0.0 107.296 168.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 81' ' ' LEU . 2.6 mm? -66.3 -49.95 65.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 123.597 0.759 . . . . 0.0 111.748 -173.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -24.83 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 119.386 0.994 . . . . 0.0 113.432 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.517 1.127 . . . . 0.0 108.673 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -62.66 -32.36 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.48 -40.61 62.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.829 1.195 . . . . 0.0 110.299 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -73.14 -64.25 1.01 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 116.981 -1.485 . . . . 0.0 108.657 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.0 -45.83 0.93 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.721 1.601 . . . . 0.0 112.649 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.94 4.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.081 1.752 . . . . 0.0 110.57 172.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.05 51.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.753 1.621 . . . . 0.0 112.575 175.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.5 mt -56.7 -46.92 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.851 1.26 . . . . 0.0 108.224 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -93.13 10.32 32.18 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.053 1.341 . . . . 0.0 111.72 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.92 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.729 1.157 . . . . 0.0 113.541 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -103.93 167.29 9.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.071 0.935 . . . . 0.0 109.651 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.7 169.51 8.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.453 2.301 . . . . 0.0 109.43 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -151.5 132.53 14.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.336 -0.852 . . . . 0.0 110.372 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -148.57 150.49 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.798 2.039 . . . . 0.0 107.829 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 65' ' ' LEU . 66.6 mt -117.17 130.85 56.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.45 1.5 . . . . 0.0 108.262 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.46 160.75 34.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.012 0.525 . . . . 0.0 110.884 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.86 28.07 15.51 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.294 1.437 . . . . 0.0 113.714 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 103' ' ' ILE . 19.5 mt -61.62 133.69 55.92 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 120.623 -1.298 . . . . 0.0 108.499 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -72.52 159.98 33.04 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-O 121.538 0.685 . . . . 0.0 109.265 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.23 -31.37 67.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.241 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -80.36 -12.9 59.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.893 0.877 . . . . 0.0 112.616 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.75 -36.47 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.971 1.308 . . . . 0.0 108.346 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.9 m -59.41 -49.0 79.49 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -53.75 -36.14 62.03 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.466 -0.772 . . . . 0.0 112.69 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.24 -49.4 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -172.119 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.1 -45.43 90.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -60.02 -47.72 84.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.142 -1.599 . . . . 0.0 111.823 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.88 -63.12 1.24 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.447 1.899 . . . . 0.0 108.109 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.44 19.99 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.962 1.305 . . . . 0.0 113.404 -178.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.75 30.07 8.39 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.755 2.422 . . . . 0.0 114.299 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -30.6 22.72 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 127.462 2.305 . . . . 0.0 110.773 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -49.67 71.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.066 0.848 . . . . 0.0 108.842 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 4.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.187 1.795 . . . . 0.0 115.744 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 pt -139.26 5.98 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 126.979 2.112 . . . . 0.0 111.463 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.32 -161.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.106 3.363 . . . . 0.0 109.736 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -140.81 126.15 18.71 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.533 1.933 . . . . 0.0 111.789 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.442 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -130.49 115.04 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 125.596 1.558 . . . . 0.0 109.893 -171.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -121.46 177.33 5.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.159 1.384 . . . . 0.0 109.879 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -93.7 -53.36 4.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -169.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.1 p -110.25 153.39 24.89 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.94 -26.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.409 -0.807 . . . . 0.0 111.072 169.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -41.8 93.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.547 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.42 -13.57 61.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.682 1.128 . . . . 0.0 113.297 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.296 1.438 . . . . 0.0 110.041 -172.513 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 123.02 1.39 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.493 HD22 HG12 ' A' ' 17' ' ' VAL . 11.2 mt -121.35 159.54 25.89 Favored 'General case' 0 N--CA 1.42 -1.935 0 C-N-CA 127.854 2.462 . . . . 0.0 106.973 169.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 7.4 m-20 -103.87 -53.75 2.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.502 1.921 . . . . 0.0 107.379 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.0 mt 57.67 129.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 130.455 3.502 . . . . 0.0 113.17 -172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 16' ' ' ILE . 4.3 t -143.21 81.31 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -57.47 110.84 0.94 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 170.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.9 -164.29 1.11 Allowed 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.54 1.136 . . . . 0.0 108.339 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -58.2 -61.84 2.27 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.281 2.232 . . . . 0.0 113.216 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -129.35 7.35 5.37 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.621 1.568 . . . . 0.0 110.704 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -140.81 137.41 33.29 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 129.0 2.92 . . . . 0.0 106.532 -164.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 109.12 20.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 9' ' ' VAL . 77.1 mt -80.21 112.85 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.493 HG12 HD22 ' A' ' 6' ' ' LEU . 66.3 t -99.08 85.04 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 163.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 5.5 mtp85 -61.5 127.47 31.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 166.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' HA ' HD23 ' A' ' 6' ' ' LEU . 2.9 t -88.82 159.31 2.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 171.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -124.57 147.45 48.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.04 0.936 . . . . 0.0 112.061 154.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 91.07 153.08 29.0 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 124.417 1.008 . . . . 0.0 112.17 173.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.07 166.9 1.4 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 111.871 164.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 HD21 ' A' ' 27' ' ' ASN . 1.4 tt -138.69 96.88 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.804 2.042 . . . . 0.0 110.101 -151.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -148.48 -165.96 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.103 1.361 . . . . 0.0 111.083 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.63 -28.56 5.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.619 1.568 . . . . 0.0 113.332 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.66 -44.38 70.63 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.488 1.115 . . . . 0.0 109.404 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.438 HD21 HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -86.36 -13.47 46.37 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.513 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -61.04 -4.38 1.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 p -120.62 -37.36 3.02 Favored 'General case' 0 C--O 1.227 -0.105 0 O-C-N 120.343 -1.473 . . . . 0.0 112.706 150.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -57.0 -65.22 0.66 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.332 0.653 . . . . 0.0 110.723 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 31' ' ' LEU . 7.3 tt -53.38 -47.78 69.19 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.828 0.74 . . . . 0.0 110.558 174.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -50.94 -43.92 60.31 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.022 0.929 . . . . 0.0 110.355 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.77 -45.62 64.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.487 ' HB3' HD12 ' A' ' 6' ' ' LEU . 31.4 mm-40 -57.75 -14.37 5.66 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 124.734 1.214 . . . . 0.0 113.238 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 31' ' ' LEU . 56.8 mt -105.07 -49.98 3.35 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-O 115.292 -2.289 . . . . 0.0 112.095 171.424 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.19 -33.98 77.05 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 123.819 3.009 . . . . 0.0 111.519 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -72.41 -38.5 68.37 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.113 0.965 . . . . 0.0 108.977 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.79 -52.06 34.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.607 -1.187 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.68 -37.36 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.596 1.089 . . . . 0.0 112.629 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -58.76 -47.94 82.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.091 1.356 . . . . 0.0 110.106 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -64.51 -54.81 26.4 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.861 0.865 . . . . 0.0 111.202 171.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.31 118.12 4.13 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.043 1.737 . . . . 0.0 112.076 -147.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 t -58.18 -47.77 82.39 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.612 1.565 . . . . 0.0 108.768 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.24 132.21 34.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -163.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -69.87 -52.41 25.08 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.051 -174.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -73.65 97.78 2.73 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 117.162 -1.399 . . . . 0.0 111.87 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -85.86 99.89 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -92.0 140.7 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.78 99.25 4.12 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.217 1.371 . . . . 0.0 112.967 -166.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.55 139.49 36.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.581 1.952 . . . . 0.0 110.891 -169.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 54' ' ' VAL . 93.4 mt -131.46 19.49 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.47 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -67.35 -11.91 58.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.704 -1.247 . . . . 0.0 113.889 178.369 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -88.49 -7.54 56.36 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 119.955 -1.716 . . . . 0.0 110.83 174.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 21' ' ' GLY . 35.0 t -107.75 97.62 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 120.531 -1.356 . . . . 0.0 108.416 -158.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.99 -9.92 23.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -138.06 155.11 49.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.7 ttt -154.51 127.01 7.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.33 175.63 8.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.435 1.112 . . . . 0.0 108.151 167.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -32.97 4.15 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 127.86 2.464 . . . . 0.0 111.596 160.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.81 63.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.84 8.41 Favored Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 126.195 1.855 . . . . 0.0 113.241 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.528 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -66.25 -48.47 70.39 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -174.34 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -19.51 23.71 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.301 1.905 . . . . 0.0 112.839 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -95.31 -5.5 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.806 1.303 . . . . 0.0 110.154 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.85 -43.9 3.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.913 1.285 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.92 -29.36 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.632 -0.668 . . . . 0.0 111.944 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.59 -37.28 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.054 -1.029 . . . . 0.0 110.744 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.72 -26.91 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.253 -0.905 . . . . 0.0 109.539 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.37 -32.4 68.54 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.902 -0.498 . . . . 0.0 110.375 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -71.14 -61.65 1.69 Allowed 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 117.082 -1.437 . . . . 0.0 109.625 168.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.95 -44.7 3.55 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.738 1.608 . . . . 0.0 114.043 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -61.0 2.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.25 1.82 . . . . 0.0 108.84 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.424 -1.274 . . . . 0.0 112.15 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.35 -43.36 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.89 1.223 . . . . 0.0 109.082 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 9.78 39.8 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.289 1.036 . . . . 0.0 112.22 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.34 17.55 78.93 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.186 1.374 . . . . 0.0 112.57 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -92.15 160.18 15.31 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -176.64 3.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 110.852 -174.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -159.08 126.17 4.76 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.259 -0.901 . . . . 0.0 110.284 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 102' ' ' LYS . 80.0 mt -143.38 137.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.987 2.115 . . . . 0.0 105.619 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.85 153.49 18.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.29 172.77 12.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.87 35.56 12.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.618 1.567 . . . . 0.0 112.193 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 HG23 ' A' ' 103' ' ' ILE . 4.9 mt -68.56 120.21 14.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.687 -0.633 . . . . 0.0 110.432 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 52' ' ' SER . 38.9 mttt -55.9 149.34 15.19 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.486 170.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.9 -33.17 74.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.465 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 m -62.45 -22.4 66.18 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.286 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mm -112.55 -34.53 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 125.227 1.411 . . . . 0.0 108.841 -171.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -56.81 -52.34 65.45 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -55.09 -38.58 68.3 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.88 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.61 -48.55 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.32 -45.32 91.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -60.69 -51.69 68.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 O-C-N 121.165 -0.959 . . . . 0.0 111.16 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.5 mt -46.44 -57.34 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.353 2.661 . . . . 0.0 110.039 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.272 36.2 m -78.33 13.96 1.37 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.3 m80 54.78 37.68 28.86 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 125.995 1.718 . . . . 0.0 111.715 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -100.01 -33.18 10.6 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.869 2.068 . . . . 0.0 109.804 -176.613 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -40.28 94.29 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.681 0.673 . . . . 0.0 110.184 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -8.97 29.55 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.37 1.468 . . . . 0.0 114.354 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.541 HD11 HD22 ' A' ' 97' ' ' LEU . 23.2 pt -125.09 2.44 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.121 -174.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -118.19 -169.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 129.855 3.262 . . . . 0.0 107.589 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HG2' HG23 ' A' ' 80' ' ' ILE . 62.2 tttt -131.4 137.92 48.88 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 168.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.425 HG23 HD12 ' A' ' 84' ' ' LEU . 3.7 mp -128.15 142.64 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -174.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 p -144.45 -177.81 5.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 127.102 2.161 . . . . 0.0 108.577 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.66 -53.29 2.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 126.194 1.798 . . . . 0.0 108.669 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 p -114.96 143.18 45.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.78 -32.04 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -19.25 63.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.396 1.878 . . . . 0.0 113.386 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -9.53 49.95 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.08 1.352 . . . . 0.0 113.482 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 126.584 1.953 . . . . 0.0 112.749 -173.632 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.817 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.96 167.78 9.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.734 1.613 . . . . 0.0 108.102 175.245 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.16 -24.98 4.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.985 0.914 . . . . 0.0 111.761 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mt 41.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 130.851 3.66 . . . . 0.0 116.606 164.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.61 89.73 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 127.448 2.299 . . . . 0.0 108.627 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.93 112.86 1.63 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.288 -1.507 . . . . 0.0 107.976 171.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 5.8 tt0 -80.04 -155.65 0.11 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.179 0.992 . . . . 0.0 108.553 172.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.87 -43.47 58.48 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.594 -1.317 . . . . 0.0 112.067 -175.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -130.2 -18.32 3.3 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.998 0.919 . . . . 0.0 111.76 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -105.49 150.47 25.29 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 121.208 -0.932 . . . . 0.0 110.204 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.8 106.98 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 HG11 ' A' ' 107' ' ' VAL . 46.4 mt -78.89 87.01 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.3 78.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 58.4 mtt180 -54.45 133.76 45.79 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 163.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.11 145.59 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 119.208 0.913 . . . . 0.0 108.584 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -130.82 138.59 49.95 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.167 0.987 . . . . 0.0 109.817 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.0 147.56 20.76 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.799 1.666 . . . . 0.0 111.018 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -53.78 155.5 3.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.468 1.907 . . . . 0.0 112.455 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -108.65 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.323 1.449 . . . . 0.0 109.524 -170.384 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -139.52 -164.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.49 1.116 . . . . 0.0 112.416 -173.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 28' ' ' SER . . . -48.8 -30.96 6.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.936 1.294 . . . . 0.0 113.198 172.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -64.59 -34.63 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.855 1.207 . . . . 0.0 109.547 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -13.77 19.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.494 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 38.2 t -43.73 -24.23 0.12 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.283 1.833 . . . . 0.0 115.134 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 p -121.68 -26.19 4.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.426 162.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.94 -65.38 0.69 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.479 1.036 . . . . 0.0 109.474 -171.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 35' ' ' LEU . 9.5 tt -55.93 -45.59 78.72 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 124.578 1.151 . . . . 0.0 109.803 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HB2' HG23 ' A' ' 64' ' ' THR . 28.4 ttpt -51.84 -44.25 63.51 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.041 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 -47.37 71.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 110.389 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.541 ' CD ' HD21 ' A' ' 6' ' ' LEU . 18.3 mm-40 -56.21 -18.76 11.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 125.129 1.372 . . . . 0.0 112.278 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.55 HD12 HD21 ' A' ' 31' ' ' LEU . 29.2 mt -106.37 -48.57 3.53 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-O 115.012 -2.423 . . . . 0.0 111.297 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -57.22 -33.1 67.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 124.019 3.1 . . . . 0.0 110.834 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.4 -48.71 63.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.81 1.244 . . . . 0.0 109.054 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -71.5 -47.09 57.62 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.842 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.1 mp -44.09 -40.62 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 120.348 1.431 . . . . 0.0 112.046 169.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.38 -42.75 98.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.724 0.693 . . . . 0.0 110.486 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -72.11 -49.13 38.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.834 0.853 . . . . 0.0 112.711 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.1 t -57.56 126.5 27.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 123.168 1.461 . . . . 0.0 112.847 -147.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -77.79 -7.59 56.81 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 126.101 1.76 . . . . 0.0 112.648 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 11' ' ' GLN . 45.9 mmtm -124.97 108.18 11.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -169.325 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.23 -25.25 66.01 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.127 0.876 . . . . 0.0 112.37 -163.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -86.47 87.28 7.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 118.833 0.742 . . . . 0.0 109.647 -166.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 42' ' ' THR . 8.2 mm -82.23 99.55 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -170.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.8 t -96.64 127.46 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HB2' HD23 ' A' ' 81' ' ' LEU . 4.3 mm? -112.34 99.22 7.84 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.987 1.315 . . . . 0.0 109.157 -172.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 9.6 t0 -73.81 130.03 39.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.408 1.083 . . . . 0.0 108.475 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 81' ' ' LEU . 58.5 mt -121.5 14.96 11.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 118.509 0.595 . . . . 0.0 112.183 -174.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -44.09 -36.19 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.117 2.167 . . . . 0.0 113.669 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -101.6 16.37 25.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 119.434 1.016 . . . . 0.0 112.501 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 14.2 t -103.35 153.44 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 104.254 -2.498 . . . . 0.0 104.254 166.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.411 ' O ' HD11 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -156.88 -20.09 0.09 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 120.199 1.363 . . . . 0.0 112.572 171.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.08 146.08 38.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.111 1.364 . . . . 0.0 107.526 166.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.7 ttt -150.55 156.41 41.35 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.089 1.756 . . . . 0.0 107.142 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -150.83 -168.57 3.14 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.659 1.984 . . . . 0.0 108.812 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -22.81 66.92 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.67 -41.99 43.44 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' HG13 ' A' ' 23' ' ' ILE . . . -49.55 -59.92 6.8 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 123.821 0.724 . . . . 0.0 113.612 166.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.65 -45.35 94.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.329 0.652 . . . . 0.0 109.326 -171.567 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.5 -14.18 48.11 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.502 1.525 . . . . 0.0 112.983 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 32' ' ' LYS . 56.4 m -103.5 -4.03 24.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.196 1.799 . . . . 0.0 110.779 -174.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.73 -42.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.777 1.231 . . . . 0.0 109.189 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.84 -29.01 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.579 1.151 . . . . 0.0 110.806 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.65 -40.71 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.79 1.636 . . . . 0.0 111.484 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.6 -32.23 48.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.096 -165.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.5 -40.23 78.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.521 1.509 . . . . 0.0 110.593 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -65.47 -67.91 0.4 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.06 -41.8 2.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.463 2.305 . . . . 0.0 112.811 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -61.4 2.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.369 2.267 . . . . 0.0 111.181 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -36.93 63.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.209 1.368 . . . . 0.0 111.616 176.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.38 -31.85 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.964 1.705 . . . . 0.0 109.509 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.09 6.82 43.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.79 40.16 64.93 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.73 1.157 . . . . 0.0 112.682 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -118.36 166.85 12.14 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.035 1.334 . . . . 0.0 109.879 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -98.1 -172.65 2.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.639 1.575 . . . . 0.0 111.399 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -167.91 118.81 0.83 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.13 152.57 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 127.124 2.17 . . . . 0.0 106.871 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.489 HD22 HD11 ' A' ' 51' ' ' LEU . 75.3 mt -117.77 139.51 50.96 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 119.727 1.149 . . . . 0.0 108.286 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.66 172.48 12.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.712 0.805 . . . . 0.0 111.577 172.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t 49.81 40.8 21.25 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 126.614 1.966 . . . . 0.0 110.689 -171.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 103' ' ' ILE . 53.6 mt -74.35 162.83 28.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.59 -1.319 . . . . 0.0 109.709 169.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.538 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 18.8 mtmm -133.05 156.29 47.65 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -164.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.19 -23.81 67.6 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.49 0.494 . . . . 0.0 110.107 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 -21.54 60.95 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 55' ' ' SER . 47.9 mm -122.23 -34.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 C-N-CA 124.614 1.166 . . . . 0.0 109.992 -168.649 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -60.62 -44.31 96.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -55.87 -38.71 70.51 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 170.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.95 -47.6 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -34.29 78.08 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.23 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -64.58 -51.13 64.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 120.398 1.454 . . . . 0.0 111.1 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.62 -52.45 17.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.029 2.532 . . . . 0.0 110.337 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -88.53 13.05 12.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.935 0.894 . . . . 0.0 112.677 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 49.95 34.88 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.142 1.777 . . . . 0.0 112.333 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.767 HD11 HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.23 -37.22 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.26 168.862 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.94 -30.52 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.717 -0.614 . . . . 0.0 111.492 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HG3' HG23 ' A' ' 100' ' ' ILE . 8.7 ptmt -74.23 -5.18 40.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 114.139 176.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.428 HG23 ' HG3' ' A' ' 99' ' ' LYS . 23.5 pt -135.34 8.29 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.427 1.491 . . . . 0.0 111.34 -172.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -124.54 -168.63 1.84 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 129.789 3.236 . . . . 0.0 107.444 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -132.8 145.12 50.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 121.61 -0.682 . . . . 0.0 109.818 160.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 84' ' ' LEU . 4.3 mp -127.77 128.45 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 p -126.19 178.69 5.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.825 2.45 . . . . 0.0 108.688 170.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.78 -76.5 0.57 Allowed 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 102.11 -3.293 . . . . 0.0 102.11 -171.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 p -94.37 143.99 25.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.463 HG11 HG23 ' A' ' 16' ' ' ILE . 7.0 t -57.51 -26.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 124.486 1.115 . . . . 0.0 110.542 176.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.46 -39.96 89.47 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.576 -0.702 . . . . 0.0 112.716 169.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 -15.59 59.3 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.276 1.43 . . . . 0.0 113.072 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 126.183 1.793 . . . . 0.0 108.845 173.992 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt . . . . . 0 CA--C 1.506 -0.715 0 CA-C-O 121.058 0.456 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.821 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -91.67 -175.26 4.12 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 167.301 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 -45.37 2.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.932 -1.105 . . . . 0.0 111.21 167.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt 63.15 126.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 130.273 3.429 . . . . 0.0 113.041 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -135.54 91.37 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 127.694 2.398 . . . . 0.0 105.709 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.8 109.83 3.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.332 -1.48 . . . . 0.0 108.161 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -153.95 0.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.628 1.171 . . . . 0.0 109.482 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -82.89 -34.82 26.59 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 111.873 -168.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 1.7 t0 -144.95 7.29 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.681 0.792 . . . . 0.0 111.052 170.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 46' ' ' LYS . 14.1 ptmt -132.61 146.38 51.85 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.4 -1.437 . . . . 0.0 109.654 -173.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 110.9 22.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.873 0.76 . . . . 0.0 108.981 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.536 HG23 HG11 ' A' ' 107' ' ' VAL . 69.2 mt -81.7 84.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.65 88.38 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 O-C-N 119.93 -1.731 . . . . 0.0 107.241 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.544 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 16.1 mtp180 -71.31 133.16 45.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 49' ' ' LEU . 61.2 t -104.64 144.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -131.78 128.63 39.21 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 108.695 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 146.54 12.57 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.599 ' HA ' HG13 ' A' ' 54' ' ' VAL . 9.6 p-10 -71.94 156.35 39.36 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 126.356 1.862 . . . . 0.0 112.063 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.507 HG13 HD22 ' A' ' 27' ' ' ASN . 8.9 tt -117.05 120.55 65.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.718 0.77 . . . . 0.0 111.126 -151.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -147.78 -175.46 4.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.908 1.283 . . . . 0.0 110.966 -164.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 -2.99 4.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.358 1.863 . . . . 0.0 115.024 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -95.96 -36.82 10.92 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 109.082 167.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.507 HD22 HG13 ' A' ' 23' ' ' ILE . 60.9 t30 -76.46 -15.58 59.87 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.475 1.11 . . . . 0.0 109.155 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.433 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 89.0 p -63.05 -9.58 10.86 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -120.38 -25.96 5.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.696 167.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -73.74 0.12 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 120.226 1.375 . . . . 0.0 109.204 175.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.77 -33.23 64.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 121.883 2.129 . . . . 0.0 111.969 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HB2' HG23 ' A' ' 64' ' ' THR . 32.6 ttmt -57.62 -56.16 25.47 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.306 172.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.76 -44.19 90.86 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.762 ' HB3' HD11 ' A' ' 6' ' ' LEU . 54.0 mm-40 -64.39 -30.81 71.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.153 0.981 . . . . 0.0 108.698 -170.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.82 -42.63 13.11 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 114.659 -2.591 . . . . 0.0 112.362 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -56.39 -36.93 69.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 123.926 3.057 . . . . 0.0 110.259 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.43 -41.62 55.46 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -70.24 -43.33 70.81 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.601 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.51 -24.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 119.667 1.122 . . . . 0.0 112.732 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -41.15 27.46 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.231 1.378 . . . . 0.0 109.827 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -54.29 -51.32 64.98 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.266 0.939 . . . . 0.0 110.519 166.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 47' ' ' ILE . 1.7 t -53.72 108.96 0.4 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.348 1.459 . . . . 0.0 110.676 -155.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 m -64.23 -49.17 72.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 162.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -92.05 110.78 22.15 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.198 0.599 . . . . 0.0 110.372 -157.588 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' LYS . 71.4 mttt -71.94 -26.51 62.31 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -153.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 14' ' ' LYS . 42.3 tttt -78.45 92.44 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.833 -172.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 42' ' ' THR . 10.0 mm -85.4 98.81 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -169.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -95.43 129.15 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 125.772 1.629 . . . . 0.0 108.862 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 19' ' ' VAL . 4.3 mm? -116.87 100.52 7.83 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.1 0.96 . . . . 0.0 111.257 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.544 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 12.4 t0 -81.81 113.83 20.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.318 1.847 . . . . 0.0 110.398 -174.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.1 mm? -100.75 23.49 10.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.673 1.579 . . . . 0.0 113.709 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 p -60.25 -30.69 69.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.981 0.809 . . . . 0.0 111.134 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.72 -3.4 58.55 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.55 1.54 . . . . 0.0 112.449 -176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.599 HG13 ' HA ' ' A' ' 22' ' ' ASP . 8.0 t -109.67 85.33 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -162.324 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 m -80.8 -12.31 59.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.92 1.688 . . . . 0.0 114.646 -166.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -138.55 164.01 30.55 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.751 2.42 . . . . 0.0 107.183 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ttt -158.59 121.24 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.75 172.2 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -56.88 -18.95 15.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.349 1.06 . . . . 0.0 112.198 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.1 70.75 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.59 0.756 . . . . 0.0 110.28 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.29 -49.73 55.27 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.071 0.843 . . . . 0.0 111.915 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -46.12 76.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 O-C-N 121.544 -0.974 . . . . 0.0 109.513 -171.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.3 -14.6 34.31 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.099 -0.834 . . . . 0.0 113.792 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 32' ' ' LYS . 49.4 m -95.27 -22.31 17.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.887 1.275 . . . . 0.0 110.225 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.86 -41.83 9.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 119.157 0.89 . . . . 0.0 110.607 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.04 -32.77 55.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.553 0.741 . . . . 0.0 111.366 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.76 -33.92 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.093 0.957 . . . . 0.0 111.839 174.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 17.3 mm -68.99 -21.5 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.505 0.722 . . . . 0.0 110.499 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -48.94 -53.12 21.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.632 1.106 . . . . 0.0 108.812 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -72.56 -42.56 64.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 116.574 -1.679 . . . . 0.0 111.18 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 11.7 m-20 -59.78 -35.56 74.9 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 121.959 2.163 . . . . 0.0 111.371 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.87 72.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.071 1.349 . . . . 0.0 108.725 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -51.42 -37.53 48.96 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.035 0.934 . . . . 0.0 111.538 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.5 mm -57.65 -41.47 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 118.35 -0.833 . . . . 0.0 109.944 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -93.88 9.72 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.966 1.257 . . . . 0.0 112.695 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.3 43.99 98.65 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.709 1.623 . . . . 0.0 111.835 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 38.6 mmtm -112.86 166.57 11.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.577 1.151 . . . . 0.0 110.567 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -172.8 2.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.394 1.478 . . . . 0.0 110.533 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -168.58 125.25 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.142 1.377 . . . . 0.0 108.43 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.5 mt -144.72 153.6 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 127.236 2.214 . . . . 0.0 106.045 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.31 153.29 31.23 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 p -143.7 165.69 26.95 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.246 1.018 . . . . 0.0 112.806 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.11 34.48 4.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.878 2.071 . . . . 0.0 113.143 173.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.509 HD12 HG23 ' A' ' 103' ' ' ILE . 5.4 mt -68.84 130.74 43.66 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.079 -1.013 . . . . 0.0 109.395 -174.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -63.04 149.09 45.9 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.822 0.82 . . . . 0.0 109.458 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -71.87 -21.59 61.64 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.679 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 t -70.93 -14.38 62.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.136 1.774 . . . . 0.0 112.377 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.75 -38.39 2.06 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.078 0 C-N-CA 126.151 1.781 . . . . 0.0 107.788 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -60.33 -43.84 96.03 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -55.4 -40.23 71.15 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.824 -1.172 . . . . 0.0 112.41 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.07 -50.33 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 -171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.4 -46.34 86.58 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -59.44 -49.06 79.27 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 120.899 -1.125 . . . . 0.0 111.568 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.55 -56.26 23.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.767 2.427 . . . . 0.0 109.879 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -77.01 10.35 2.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.68 0.792 . . . . 0.0 112.286 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 65.55 16.41 10.5 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 127.406 2.282 . . . . 0.0 113.566 174.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.26 -31.67 64.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.706 2.002 . . . . 0.0 110.918 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -36.69 71.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.948 1.249 . . . . 0.0 110.491 -175.283 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -3.48 4.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.4 pt -131.99 4.86 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.962 1.705 . . . . 0.0 111.501 -172.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.69 -173.5 2.8 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 127.589 2.356 . . . . 0.0 107.868 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -122.37 140.22 52.93 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 123.646 0.778 . . . . 0.0 111.263 161.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.509 HG23 HD12 ' A' ' 84' ' ' LEU . 4.1 mp -127.54 145.85 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.3 p -135.95 -167.51 2.05 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.939 1.295 . . . . 0.0 110.377 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -117.88 -45.54 2.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 127.643 2.377 . . . . 0.0 107.348 -168.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -119.63 148.12 43.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.933 1.293 . . . . 0.0 108.872 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.536 HG11 HG23 ' A' ' 16' ' ' ILE . 5.1 t -56.68 -27.81 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.855 1.262 . . . . 0.0 110.175 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -55.99 -49.0 74.82 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.439 1.096 . . . . 0.0 110.456 173.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -20.89 63.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.798 1.239 . . . . 0.0 111.816 -173.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 CA-C-O 116.813 -1.565 . . . . 0.0 109.494 -177.447 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mttt . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.79 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -121.86 164.61 17.23 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 127.062 2.145 . . . . 0.0 109.416 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.23 -53.63 2.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.243 1.017 . . . . 0.0 109.826 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.3 mt 67.98 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 131.595 3.958 . . . . 0.0 114.518 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.3 t -143.39 100.08 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.138 2.175 . . . . 0.0 108.217 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.06 101.53 2.24 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.831 -1.168 . . . . 0.0 108.958 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -79.77 -157.85 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.034 1.334 . . . . 0.0 108.543 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.75 -51.02 60.68 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.666 -1.272 . . . . 0.0 110.882 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -138.13 -3.37 1.78 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.97 143.94 39.22 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 120.535 -1.353 . . . . 0.0 107.41 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.97 108.26 20.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 169.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.437 HG22 ' HG2' ' A' ' 18' ' ' ARG . 61.6 mt -77.61 98.45 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.19 84.49 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.719 1.247 . . . . 0.0 107.713 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 5.4 mtm180 -70.31 127.58 33.25 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG2' HD12 ' A' ' 49' ' ' LEU . 77.6 t -90.23 162.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.21 162.09 28.64 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.3 1.84 . . . . 0.0 109.748 163.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 82.59 152.2 10.75 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 124.538 1.066 . . . . 0.0 112.048 170.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -53.76 124.98 16.79 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.558 1.143 . . . . 0.0 109.51 159.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 57' ' ' MET . 0.6 OUTLIER -75.71 112.95 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.263 1.425 . . . . 0.0 108.266 -176.153 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -138.95 176.3 8.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.33 1.062 . . . . 0.0 112.702 -167.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -21.56 34.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.758 1.223 . . . . 0.0 112.706 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -35.88 63.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.402 1.081 . . . . 0.0 108.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.653 HD21 ' C ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -84.49 -12.59 53.97 Favored 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 121.732 -0.605 . . . . 0.0 111.137 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -60.74 -6.69 1.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.363 1.039 . . . . 0.0 112.763 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -33.1 4.08 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 120.725 -1.234 . . . . 0.0 112.325 159.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.02 -60.53 3.49 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.521 0.6 . . . . 0.0 110.477 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -54.9 -49.36 71.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 126.298 1.839 . . . . 0.0 111.518 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -51.57 -39.85 58.63 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.94 -53.14 12.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.843 1.257 . . . . 0.0 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' CB ' HD11 ' A' ' 6' ' ' LEU . 14.6 mm100 -61.42 0.86 0.25 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 127.331 2.253 . . . . 0.0 112.644 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.0 -47.47 2.39 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 115.001 -2.428 . . . . 0.0 113.451 168.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -60.02 -41.0 91.25 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 124.568 3.349 . . . . 0.0 111.021 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -73.96 -39.86 63.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -64.65 -49.61 70.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.047 1.339 . . . . 0.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.34 -32.34 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.428 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -62.64 -55.87 23.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -44.91 93.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.122 0.569 . . . . 0.0 111.814 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.496 ' O ' ' HE2' ' A' ' 77' ' ' LYS . 8.8 t -57.07 123.99 17.17 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.139 0.427 . . . . 0.0 110.173 -151.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -71.64 -20.92 61.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.921 -0.487 . . . . 0.0 110.466 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -107.37 137.92 44.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 119.257 0.935 . . . . 0.0 110.072 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.35 -34.76 36.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.711 -1.131 . . . . 0.0 113.205 -165.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -87.04 94.82 9.73 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.287 0.494 . . . . 0.0 110.425 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -81.98 102.9 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.57 114.76 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 19' ' ' VAL . 4.3 mm? -91.02 126.9 36.24 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 117.099 -1.429 . . . . 0.0 109.124 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 31.0 t0 -100.85 120.08 39.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 129.86 3.264 . . . . 0.0 110.117 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD12 HG21 ' A' ' 54' ' ' VAL . 2.7 mm? -114.41 19.72 16.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.243 1.017 . . . . 0.0 112.808 -172.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -53.67 -38.37 64.09 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.41 0.684 . . . . 0.0 112.384 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -85.4 0.91 50.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.684 1.594 . . . . 0.0 112.791 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.547 HG21 HD12 ' A' ' 51' ' ' LEU . 91.2 t -98.34 96.82 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 119.562 1.074 . . . . 0.0 108.729 -168.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -78.48 -34.88 47.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.043 1.337 . . . . 0.0 113.672 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -136.21 158.71 43.76 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.458 1.503 . . . . 0.0 108.21 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' HG23 ' A' ' 23' ' ' ILE . 4.3 ttt -142.35 122.87 14.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.948 1.299 . . . . 0.0 110.012 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.77 170.44 15.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.483 0.659 . . . . 0.0 110.494 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.8 p -51.7 -29.46 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.647 1.579 . . . . 0.0 112.308 166.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.58 78.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.64 -54.08 40.09 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.425 2.441 . . . . 0.0 111.122 -173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -75.21 -38.56 60.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -174.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.54 -16.79 59.11 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.046 -0.863 . . . . 0.0 112.827 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -90.22 -50.09 6.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.9 -33.05 71.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.002 -1.061 . . . . 0.0 112.251 -171.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.9 -26.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.131 -0.981 . . . . 0.0 111.679 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.89 -39.36 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.368 1.067 . . . . 0.0 108.476 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.31 -37.77 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 123.288 0.635 . . . . 0.0 110.453 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.83 -44.39 63.55 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.385 0.538 . . . . 0.0 110.241 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -67.49 -63.52 1.04 Allowed 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.433 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.56 -45.86 1.66 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.416 1.886 . . . . 0.0 112.202 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.26 -64.09 0.98 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.976 0.91 . . . . 0.0 109.213 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.22 -37.61 64.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.729 1.212 . . . . 0.0 113.19 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.76 -41.37 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 125.981 1.713 . . . . 0.0 108.545 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -6.97 57.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.635 1.174 . . . . 0.0 112.022 177.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.3 22.73 43.2 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.832 1.682 . . . . 0.0 114.699 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 42' ' ' THR . 12.2 mttp -108.3 164.42 12.33 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.19 1.495 . . . . 0.0 110.933 -175.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -91.59 175.1 7.03 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 110.699 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -158.63 128.17 5.71 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.125 -0.984 . . . . 0.0 110.608 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.9 mt -146.5 153.65 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.833 2.453 . . . . 0.0 106.815 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.04 143.48 45.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.08 2.152 . . . . 0.0 107.423 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 90.1 p -129.36 158.81 38.1 Favored 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.714 2.006 . . . . 0.0 110.058 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m 55.89 22.84 5.99 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.221 1.564 . . . . 0.0 115.221 168.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.621 HD12 HG23 ' A' ' 103' ' ' ILE . 10.4 mt -58.41 129.14 40.62 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 125.692 1.597 . . . . 0.0 109.68 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -64.26 161.8 15.92 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.665 0.745 . . . . 0.0 109.705 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.29 -37.65 88.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.83 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -12.41 61.15 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.762 -173.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -104.99 -39.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -63.12 -45.53 91.56 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -57.22 -37.12 71.76 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.284 -0.885 . . . . 0.0 111.873 173.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -50.8 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 -176.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.19 -52.44 64.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.05 -46.13 71.85 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.953 0.901 . . . . 0.0 111.311 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -54.15 -56.83 14.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.276 1.03 . . . . 0.0 108.736 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 p -68.96 9.59 0.38 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 57.12 19.29 4.67 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 112.366 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.18 -29.24 61.67 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.132 1.373 . . . . 0.0 110.168 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -31.18 71.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.498 1.045 . . . . 0.0 111.367 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HE2' HG23 ' A' ' 100' ' ' ILE . 11.5 ptmt -72.95 0.22 11.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.785 -1.102 . . . . 0.0 113.402 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' HE2' ' A' ' 99' ' ' LYS . 17.6 pt -136.45 -5.58 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 119.788 1.177 . . . . 0.0 112.163 -172.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -114.28 -170.65 1.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.706 2.402 . . . . 0.0 108.665 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -136.09 128.27 29.88 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 121.369 -0.832 . . . . 0.0 108.8 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.621 HG23 HD12 ' A' ' 84' ' ' LEU . 5.0 mp -127.5 117.43 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -169.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . 0.25 1.5 p -128.82 174.78 9.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 124.832 1.253 . . . . 0.0 108.431 171.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.18 -63.82 1.13 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -164.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 50.9 p -93.42 137.86 32.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.67 -28.15 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.906 0.883 . . . . 0.0 110.072 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.2 -51.47 67.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.493 1.517 . . . . 0.0 113.348 169.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.99 -16.86 64.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.813 1.188 . . . . 0.0 111.996 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.081 0.952 . . . . 0.0 109.794 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 mttt . . . . . 0 CA--C 1.502 -0.887 0 CA-C-O 121.492 0.663 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -83.29 167.8 17.29 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.403 164.499 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.2 -45.75 2.93 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.163 0.915 . . . . 0.0 111.619 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 6' ' ' LEU . 98.3 mt 64.24 129.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 131.302 3.841 . . . . 0.0 114.299 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.85 91.89 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 128.03 2.532 . . . . 0.0 105.694 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.21 102.35 1.67 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -160.24 0.22 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.8 -48.99 67.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 120.87 -1.144 . . . . 0.0 109.594 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -143.53 8.8 1.57 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -114.44 149.85 35.63 Favored 'General case' 0 C--N 1.34 0.177 0 O-C-N 120.101 -1.624 . . . . 0.0 108.21 165.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -102.81 107.43 18.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.005 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.48 91.98 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' HB ' HD13 ' A' ' 49' ' ' LEU . 36.9 t -84.72 86.27 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 120.147 -1.596 . . . . 0.0 107.575 173.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.454 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.6 mtp180 -66.02 127.56 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 167.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 49' ' ' LEU . 11.8 t -99.37 145.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -129.25 150.36 50.66 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.23 0.612 . . . . 0.0 109.494 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.25 164.77 33.59 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.15 145.38 37.75 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.604 1.162 . . . . 0.0 107.916 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.409 HG23 ' HG3' ' A' ' 57' ' ' MET . 1.2 tp -91.73 77.55 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 122.833 1.301 . . . . 0.0 108.55 -172.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -109.46 -177.27 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.939 1.296 . . . . 0.0 112.981 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.2 -9.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.115 2.166 . . . . 0.0 114.804 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -86.01 -32.97 21.19 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 120.693 1.588 . . . . 0.0 109.068 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -19.38 59.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -44.68 -27.5 0.5 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 125.576 1.798 . . . . 0.0 113.018 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 p -120.87 -31.72 4.14 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.793 162.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.62 -67.19 0.38 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.373 0.988 . . . . 0.0 110.651 -169.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.589 HD21 HD12 ' A' ' 35' ' ' LEU . 8.5 tt -54.74 -46.33 74.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.785 1.634 . . . . 0.0 109.307 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -48.59 60.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.995 0.809 . . . . 0.0 109.346 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.94 -50.77 72.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.251 1.42 . . . . 0.0 111.215 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 6' ' ' LEU . 1.8 mt-30 -61.02 -11.17 7.35 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.855 0.862 . . . . 0.0 112.999 -177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.589 HD12 HD21 ' A' ' 31' ' ' LEU . 37.3 mt -114.14 -40.63 3.66 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.165 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -55.72 -44.63 77.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 124.162 3.165 . . . . 0.0 109.42 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -74.03 -36.22 64.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -174.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -73.33 -48.14 36.78 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.264 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.47 ' HA ' HG22 ' A' ' 42' ' ' THR . 21.2 mt -56.34 -32.64 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 120.656 1.571 . . . . 0.0 112.212 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -74.36 -14.21 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 111.921 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.2 m -97.07 -47.15 5.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.413 1.885 . . . . 0.0 110.957 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 39' ' ' ILE . 12.2 t -63.38 142.01 58.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.586 1.184 . . . . 0.0 112.382 -147.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.03 -3.45 58.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 127.02 2.128 . . . . 0.0 112.58 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 50.4 mmtt -117.81 145.31 44.64 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.924 1.238 . . . . 0.0 109.522 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -86.24 -36.58 19.32 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.968 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.03 93.44 2.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 121.546 1.976 . . . . 0.0 111.435 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -81.47 103.41 8.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 122.053 2.206 . . . . 0.0 105.445 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 t -101.02 133.67 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.063 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.2 mm? -105.66 146.87 29.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 11.1 t0 -125.76 115.23 19.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.177 1.391 . . . . 0.0 110.157 177.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.41 20.89 15.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.398 1.079 . . . . 0.0 111.731 -163.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.32 62.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.358 1.063 . . . . 0.0 113.063 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -84.03 -12.11 55.69 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.095 0.958 . . . . 0.0 112.753 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.21 105.0 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 -19.65 19.8 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 112.32 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -137.63 150.27 47.26 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.808 1.643 . . . . 0.0 109.466 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG3' HG23 ' A' ' 23' ' ' ILE . 10.7 ttt -139.78 140.61 36.72 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 126.359 1.864 . . . . 0.0 108.399 172.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 59' ' ' SER . 31.5 t70 -117.43 -179.83 3.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.516 1.127 . . . . 0.0 109.132 168.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.434 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 51.1 m -71.53 -12.13 61.22 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.356 1.862 . . . . 0.0 113.661 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -52.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -24.47 -66.57 0.04 OUTLIER Glycine 0 C--O 1.225 -0.448 0 C-N-CA 130.282 3.801 . . . . 0.0 112.812 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.49 -39.82 73.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.185 0.994 . . . . 0.0 111.648 -171.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.27 -13.83 63.09 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.8 1.19 . . . . 0.0 113.085 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -101.82 -7.75 22.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.341 1.456 . . . . 0.0 108.835 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -107.74 -42.86 4.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.418 1.087 . . . . 0.0 111.095 173.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.36 -34.04 49.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 120.246 1.385 . . . . 0.0 110.77 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.61 -35.19 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.775 0.83 . . . . 0.0 110.636 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.07 -23.86 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.532 1.133 . . . . 0.0 110.698 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.0 -49.35 77.13 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.671 1.578 . . . . 0.0 108.25 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -58.26 -64.09 1.04 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 117.306 -1.331 . . . . 0.0 108.496 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -38.69 28.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.834 1.197 . . . . 0.0 113.436 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -55.37 20.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.692 1.197 . . . . 0.0 110.422 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -35.73 54.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.95 1.3 . . . . 0.0 111.603 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.28 -56.31 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 119.781 1.173 . . . . 0.0 107.983 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.64 5.92 29.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.69 0.757 . . . . 0.0 111.631 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.69 45.71 92.02 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 125.872 1.701 . . . . 0.0 111.603 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -101.3 156.53 17.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.836 0.854 . . . . 0.0 109.353 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -83.42 176.31 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.788 0.804 . . . . 0.0 109.017 163.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 4.5 t80 -150.69 129.74 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 127.615 2.366 . . . . 0.0 105.86 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.428 HG23 ' HG2' ' A' ' 102' ' ' LYS . 40.3 mt -146.94 150.3 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 79' ' ' PHE . 79.8 mt -120.35 124.23 45.03 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.784 1.234 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 161.09 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.191 0.996 . . . . 0.0 111.179 -177.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t 53.9 29.75 10.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.765 1.626 . . . . 0.0 114.132 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.3 122.53 16.4 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 120.159 -1.588 . . . . 0.0 109.153 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -61.28 157.24 16.84 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-O 121.702 0.763 . . . . 0.0 109.444 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.61 -35.09 75.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.391 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m -71.34 -10.58 60.0 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.5 mm -115.57 -41.42 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.71 99.86 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.919 -0.488 . . . . 0.0 109.738 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.66 -37.62 73.71 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.149 -0.969 . . . . 0.0 111.953 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.06 -47.03 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.26 -49.82 76.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -59.23 -43.6 92.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 120.179 -1.575 . . . . 0.0 112.099 -178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.52 -60.66 3.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.847 1.659 . . . . 0.0 108.309 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.97 18.82 0.08 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 114.144 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.25 38.82 5.44 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.231 2.212 . . . . 0.0 113.114 -175.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -100.49 -24.21 14.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.089 2.156 . . . . 0.0 109.906 -174.41 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.0 -49.55 67.37 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.248 0.931 . . . . 0.0 109.608 177.232 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.49 3.31 0.21 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 128.49 2.716 . . . . 0.0 116.566 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.4 pt -140.24 8.22 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 C-N-CA 125.227 1.411 . . . . 0.0 110.546 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.0 m-85 -132.38 -169.88 2.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.783 3.633 . . . . 0.0 109.451 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.428 ' HG2' HG23 ' A' ' 80' ' ' ILE . 27.0 tttt -127.94 134.82 49.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 124.67 1.188 . . . . 0.0 110.169 173.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.04 130.3 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 125.533 1.771 . . . . 0.0 109.085 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -137.01 -179.59 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.033 1.733 . . . . 0.0 110.543 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 -49.23 6.0 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 120.921 -1.112 . . . . 0.0 109.366 -169.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 p -123.82 159.27 29.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.84 -19.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.552 -0.717 . . . . 0.0 111.272 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.59 -48.02 70.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.025 0.93 . . . . 0.0 110.621 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.92 -18.1 64.06 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.198 0.999 . . . . 0.0 111.917 -171.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.16 1.784 . . . . 0.0 110.323 -178.073 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.744 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.11 152.64 29.36 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.299 1.44 . . . . 0.0 108.169 176.317 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -47.31 3.87 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.087 0.867 . . . . 0.0 110.478 -164.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.6 mt 68.44 125.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 128.764 2.826 . . . . 0.0 113.539 166.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.4 t -147.21 79.11 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 128.531 2.733 . . . . 0.0 106.844 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 74.4 mt-10 -64.89 120.84 13.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.022 -1.674 . . . . 0.0 109.704 170.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -95.22 -145.58 0.27 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.706 2.003 . . . . 0.0 109.627 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -73.88 0.09 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.699 1.2 . . . . 0.0 110.351 168.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -16.45 13.71 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.704 1.202 . . . . 0.0 111.347 -168.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HE2' ' HE3' ' A' ' 46' ' ' LYS . 18.7 ptpt -112.87 126.96 56.02 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.399 1.48 . . . . 0.0 108.12 -168.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . . . -80.46 98.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 166.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -74.16 122.2 26.91 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.75 95.22 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 123.654 1.692 . . . . 0.0 109.148 168.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.58 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.2 mtt-85 -59.94 119.82 8.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.908 162.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.44 147.07 6.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 8.8 mt-30 -126.07 155.53 41.41 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.688 1.195 . . . . 0.0 110.738 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 81.58 161.97 28.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.585 1.564 . . . . 0.0 110.951 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -71.52 153.56 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.894 1.277 . . . . 0.0 108.743 171.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.406 HG23 ' HG3' ' A' ' 57' ' ' MET . 0.9 OUTLIER -113.73 93.73 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 125.34 1.456 . . . . 0.0 111.414 -158.259 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -144.29 -166.81 2.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.502 1.121 . . . . 0.0 112.763 -171.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.99 -22.3 0.31 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.756 1.622 . . . . 0.0 114.759 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.4 -38.13 63.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.932 1.242 . . . . 0.0 109.011 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -12.36 35.07 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 121.938 -0.476 . . . . 0.0 110.038 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 t -57.34 -12.8 2.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.6 p -113.48 -38.25 4.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.27 156.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.98 -69.99 0.12 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.978 0.911 . . . . 0.0 110.537 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.34 -47.0 62.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.035 0.934 . . . . 0.0 110.107 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -49.65 -50.11 44.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.736 0.414 . . . . 0.0 110.846 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.64 -48.86 65.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.216 1.806 . . . . 0.0 111.171 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.489 ' CB ' HD11 ' A' ' 6' ' ' LEU . 1.6 mm-40 -64.74 -4.3 4.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 127.22 2.208 . . . . 0.0 112.996 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.9 -42.75 3.18 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.407 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -69.95 -40.89 75.19 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 121.396 1.907 . . . . 0.0 110.712 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -67.65 -38.36 83.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.08 -37.3 72.43 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.034 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -33.12 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 120.158 1.344 . . . . 0.0 112.985 175.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -59.9 -49.95 75.67 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 m -71.17 -40.05 71.52 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 123.76 0.824 . . . . 0.0 113.109 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -59.14 136.31 57.91 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -156.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t -83.96 -9.79 58.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.76 2.424 . . . . 0.0 112.656 -174.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -120.88 166.74 13.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -172.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -100.08 -41.72 7.03 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.636 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HE3' ' HE2' ' A' ' 14' ' ' LYS 0.258 13.1 ttpt -79.79 96.89 6.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.947 1.249 . . . . 0.0 110.294 -169.43 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -88.83 104.76 15.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.74 99.59 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 125.654 1.581 . . . . 0.0 109.701 -162.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 111.09 22.42 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 123.988 0.915 . . . . 0.0 111.885 -170.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 18.0 t70 -91.44 138.69 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.808 2.043 . . . . 0.0 112.797 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.59 HD12 HG21 ' A' ' 54' ' ' VAL . 3.0 mm? -123.33 20.19 9.7 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -24.09 61.33 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.695 -1.253 . . . . 0.0 112.292 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 58.6 m -72.9 -44.41 61.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.398 -1.439 . . . . 0.0 112.009 170.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.59 HG21 HD12 ' A' ' 51' ' ' LEU . 59.9 t -82.18 120.75 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -154.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.1 m -125.19 -10.42 7.03 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -130.72 150.95 51.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.373 1.469 . . . . 0.0 107.934 163.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.406 ' HG3' HG23 ' A' ' 23' ' ' ILE . 4.2 ttt -142.59 130.62 21.86 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.306 1.842 . . . . 0.0 106.789 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -101.28 170.05 8.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 163.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -61.19 -8.97 4.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.947 -1.095 . . . . 0.0 112.847 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.68 77.04 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -55.19 -54.82 31.61 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 125.715 1.626 . . . . 0.0 112.08 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -72.09 -38.45 69.37 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.209 -2.348 . . . . 0.0 109.371 -178.648 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.97 -6.31 12.15 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.505 1.526 . . . . 0.0 113.418 170.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 61.3 m -86.9 -65.45 1.01 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 167.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.39 -42.04 98.09 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 118.511 0.596 . . . . 0.0 111.438 -164.413 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -52.62 -29.01 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -39.62 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-O 121.661 0.743 . . . . 0.0 111.197 175.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.9 -27.59 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 125.608 1.563 . . . . 0.0 109.687 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.56 -47.75 63.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.082 0.953 . . . . 0.0 109.481 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.51 -60.58 3.58 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 117.211 -1.376 . . . . 0.0 110.417 168.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -49.08 -39.08 26.44 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.737 1.153 . . . . 0.0 111.947 -171.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.75 -60.01 4.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 126.987 2.115 . . . . 0.0 109.898 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -41.54 26.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.5 1.12 . . . . 0.0 111.854 174.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mt -60.94 -39.56 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.868 1.213 . . . . 0.0 110.338 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.56 15.94 24.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.903 0.774 . . . . 0.0 112.163 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.6 81.38 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.935 1.731 . . . . 0.0 112.953 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -98.53 163.03 12.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.162 0.981 . . . . 0.0 110.196 -175.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 178.13 6.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.923 1.689 . . . . 0.0 109.312 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -160.09 125.3 3.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.544 1.137 . . . . 0.0 110.294 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 70.7 mt -140.3 149.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 101' ' ' PHE . 2.2 mm? -103.83 149.46 25.03 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 120.145 1.339 . . . . 0.0 109.165 157.39 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.67 169.52 17.5 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.592 0.757 . . . . 0.0 111.584 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m 52.7 30.18 8.44 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.33 160.36 16.12 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.211 -0.931 . . . . 0.0 108.76 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -109.42 158.24 18.14 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 123.507 0.723 . . . . 0.0 110.297 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -15.89 63.86 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.351 0.596 . . . . 0.0 112.206 -175.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -85.45 -10.44 56.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.539 1.135 . . . . 0.0 112.689 173.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.2 mm -121.74 -37.43 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.85 1.66 . . . . 0.0 109.177 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -55.28 -50.19 70.18 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 122.823 1.297 . . . . 0.0 108.978 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -54.07 -38.23 65.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.765 1.626 . . . . 0.0 111.576 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.17 -50.3 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 -171.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.87 -48.18 70.3 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.79 -48.34 82.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.894 -1.129 . . . . 0.0 110.956 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -51.98 -44.97 64.29 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.794 2.038 . . . . 0.0 110.035 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -87.35 5.74 37.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.8 27.85 14.67 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 127.37 2.268 . . . . 0.0 113.986 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -84.51 -38.46 20.04 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.605 1.562 . . . . 0.0 110.719 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.86 65.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.999 -1.063 . . . . 0.0 111.664 -171.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.492 ' HE2' HG23 ' A' ' 100' ' ' ILE . 12.6 ptmt -74.52 -20.01 60.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.43 1.092 . . . . 0.0 112.723 174.692 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.492 HG23 ' HE2' ' A' ' 99' ' ' LYS . 18.5 pt -118.44 -37.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 119.83 1.195 . . . . 0.0 110.401 -166.668 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CD2' HD21 ' A' ' 81' ' ' LEU . 4.2 m-30 -72.0 -174.96 1.33 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.572 1.549 . . . . 0.0 110.114 163.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -119.42 153.35 35.36 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.33 134.29 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 165.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.1 p -124.65 -172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.721 1.609 . . . . 0.0 107.375 156.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.05 -33.07 5.18 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 124.233 1.013 . . . . 0.0 110.549 -164.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -128.18 144.95 51.16 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.36 -21.66 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.397 167.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -49.8 76.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.089 2.156 . . . . 0.0 112.155 169.352 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.7 -27.02 63.68 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.396 1.453 . . . . 0.0 112.2 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.551 1.541 . . . . 0.0 110.959 -172.528 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 122.187 0.994 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' CD2' HG12 ' A' ' 17' ' ' VAL . 10.8 mt -120.19 165.08 15.27 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 127.736 2.414 . . . . 0.0 109.144 168.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -45.92 2.51 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.774 1.23 . . . . 0.0 112.637 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt 57.98 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 130.44 3.496 . . . . 0.0 115.196 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.34 86.95 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 127.143 2.177 . . . . 0.0 108.641 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.35 120.07 13.24 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.054 -1.654 . . . . 0.0 108.159 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -145.55 0.13 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.819 1.247 . . . . 0.0 109.767 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -67.29 -61.99 1.64 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.661 1.584 . . . . 0.0 110.095 166.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.68 -7.79 1.9 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.28 1.432 . . . . 0.0 111.438 -167.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.43 140.45 44.65 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.886 1.674 . . . . 0.0 107.119 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -104.25 105.43 15.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.64 126.34 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 6' ' ' LEU . 38.5 t -114.16 86.3 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.764 1.226 . . . . 0.0 109.126 173.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -78.53 123.98 27.66 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.05 151.6 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.177 0.991 . . . . 0.0 110.298 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -127.17 134.73 50.12 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.902 166.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.31 159.39 25.12 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.77 149.01 32.25 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.593 0.711 . . . . 0.0 109.832 156.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.407 HG22 ' CG1' ' A' ' 54' ' ' VAL . 13.4 tt -104.06 140.23 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.413 2.285 . . . . 0.0 106.996 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -175.72 -175.89 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 120.775 -1.203 . . . . 0.0 112.443 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.82 58.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.888 -1.054 . . . . 0.0 111.916 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.47 -28.11 69.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.249 1.386 . . . . 0.0 112.185 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -117.73 -0.41 11.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 112.28 -174.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.2 p -51.46 -10.48 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 161.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -120.85 -32.94 3.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 115.913 -1.994 . . . . 0.0 113.932 151.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -68.33 0.19 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 119.853 1.206 . . . . 0.0 110.668 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.47 -40.42 78.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.235 1.414 . . . . 0.0 111.621 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' A' ' 64' ' ' THR . 20.1 ttpt -59.1 -47.32 85.69 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 123.127 0.571 . . . . 0.0 109.839 -176.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.48 -43.71 63.28 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.401 0.68 . . . . 0.0 109.56 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.08 -11.59 9.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.042 0.937 . . . . 0.0 111.594 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.6 mt -105.67 -50.62 3.16 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 115.638 -2.125 . . . . 0.0 110.436 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -64.89 -33.96 77.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 123.91 3.05 . . . . 0.0 111.551 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.86 -46.2 75.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.2 -49.8 66.07 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.749 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 mt -50.95 -28.02 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 125.14 1.376 . . . . 0.0 112.312 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -48.09 25.46 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.902 0.773 . . . . 0.0 110.241 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -55.05 -46.64 75.37 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.64 1.176 . . . . 0.0 111.564 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 115.47 3.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 122.649 1.214 . . . . 0.0 111.646 -152.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -14.7 62.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.338 2.255 . . . . 0.0 113.95 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.694 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 6.9 mptt -98.11 169.4 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.069 1.748 . . . . 0.0 109.338 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -115.06 -31.74 5.95 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -79.86 94.99 5.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.411 1.46 . . . . 0.0 109.287 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.8 mm -89.34 102.74 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 107' ' ' VAL . 3.5 t -105.06 125.14 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.94 143.75 26.4 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-O 117.098 -1.429 . . . . 0.0 107.705 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.46 ' HA ' ' OG ' ' A' ' 82' ' ' SER . 13.8 t70 -113.05 122.89 48.95 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 130.714 3.606 . . . . 0.0 107.869 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -118.21 23.76 11.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.657 0.783 . . . . 0.0 110.749 -171.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -30.44 71.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.426 -0.796 . . . . 0.0 111.48 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.6 m -81.56 -10.57 59.42 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.33 -1.481 . . . . 0.0 111.623 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.407 ' CG1' HG22 ' A' ' 23' ' ' ILE . 47.7 t -88.89 84.55 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -171.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.446 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 2.5 m -70.7 -22.5 62.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.541 1.137 . . . . 0.0 113.41 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -147.89 158.7 44.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.588 2.355 . . . . 0.0 107.246 -176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.455 ' HB2' HD12 ' A' ' 88' ' ' ILE . 2.5 ttt -144.43 125.49 14.49 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.36 1.464 . . . . 0.0 107.478 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.09 158.41 22.44 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -52.02 -8.42 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.235 2.614 . . . . 0.0 114.771 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.4 -26.17 13.69 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.373 1.469 . . . . 0.0 109.742 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.88 -49.3 80.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.71 -42.14 98.55 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 121.938 -0.742 . . . . 0.0 109.896 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.91 -9.55 47.1 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.433 1.492 . . . . 0.0 112.654 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 32' ' ' LYS . 52.2 m -107.66 0.21 22.32 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 126.925 2.09 . . . . 0.0 110.381 -176.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.8 mt -118.82 -32.21 4.58 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.095 0.958 . . . . 0.0 110.058 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.98 -41.47 83.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -64.85 -29.14 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.581 1.553 . . . . 0.0 112.451 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.14 -18.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.454 0.701 . . . . 0.0 109.801 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.22 -54.52 16.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.323 0.965 . . . . 0.0 108.692 168.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -56.39 -66.31 0.46 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 116.865 -1.541 . . . . 0.0 110.081 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -41.14 -44.4 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 120.842 1.655 . . . . 0.0 112.591 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -59.29 4.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 110.243 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -31.78 61.43 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.821 1.648 . . . . 0.0 111.938 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.2 mt -57.77 -48.18 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.794 1.634 . . . . 0.0 108.585 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.55 11.56 30.51 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.326 0.651 . . . . 0.0 112.025 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.91 76.25 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.134 1.35 . . . . 0.0 113.629 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -92.55 158.68 15.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.06 -177.45 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.164 0.586 . . . . 0.0 110.536 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -158.06 130.91 7.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.471 1.108 . . . . 0.0 110.212 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.8 mt -144.09 156.73 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.39 2.276 . . . . 0.0 107.454 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.23 141.34 48.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.534 1.533 . . . . 0.0 108.592 171.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 59.5 p -128.83 166.18 19.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.792 2.037 . . . . 0.0 111.174 -177.446 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m 50.62 30.19 4.68 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.137 1.775 . . . . 0.0 114.214 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.445 HD12 HG23 ' A' ' 103' ' ' ILE . 7.0 mt -66.92 130.12 42.11 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.482 -1.386 . . . . 0.0 110.238 -170.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 55' ' ' SER . 55.5 mttt -65.91 147.79 52.81 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.531 169.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.09 -39.89 83.59 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.469 1.106 . . . . 0.0 108.896 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 m -66.89 -12.37 59.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.486 0.714 . . . . 0.0 112.615 -172.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 57' ' ' MET . 18.5 mm -113.33 -41.99 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 128.207 2.603 . . . . 0.0 107.762 -174.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -39.4 93.02 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.897 0.879 . . . . 0.0 109.145 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -55.93 -54.64 42.23 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.32 165.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -58.79 -41.01 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 108.977 -164.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -51.68 -53.48 38.53 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 172.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -64.6 -35.7 81.86 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.452 -1.405 . . . . 0.0 111.771 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 mp -61.36 -18.33 58.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.297 1.039 . . . . 0.0 112.328 170.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -115.62 18.52 15.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.409 1.484 . . . . 0.0 111.242 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 51.01 27.69 3.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.912 2.485 . . . . 0.0 114.28 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -30.93 22.06 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -34.42 77.8 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.444 1.02 . . . . 0.0 109.864 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -63.38 -21.08 66.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.672 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.77 8.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 121.817 2.099 . . . . 0.0 112.856 -165.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -128.13 -171.19 2.39 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 129.821 3.248 . . . . 0.0 107.903 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -125.96 147.13 49.59 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 121.353 -0.842 . . . . 0.0 109.55 163.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 84' ' ' LEU . 4.7 mp -123.79 129.68 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 O-C-N 125.963 2.039 . . . . 0.0 106.224 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.1 p -129.52 172.06 11.94 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.134 1.773 . . . . 0.0 109.983 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.01 -50.91 10.34 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 121.391 -0.818 . . . . 0.0 110.209 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.6 p -119.96 156.41 30.89 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.641 ' HA ' HG11 ' A' ' 48' ' ' VAL . 34.2 m -59.75 -20.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 110.583 167.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.07 -27.79 24.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.557 1.943 . . . . 0.0 112.332 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.63 -21.12 65.4 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.423 1.011 . . . . 0.0 111.633 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 CA-C-O 117.963 -1.017 . . . . 0.0 111.201 177.391 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' HD23 ' A' ' 6' ' ' LEU . 4.5 mttp . . . . . 0 CA--C 1.514 -0.43 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -118.24 130.27 55.97 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.628 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.86 -43.84 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 128.049 2.54 . . . . 0.0 109.126 -166.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.5 mt 60.99 121.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 129.319 3.048 . . . . 0.0 113.074 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.08 90.73 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 128.084 2.554 . . . . 0.0 107.839 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.1 120.19 11.6 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.397 -0.815 . . . . 0.0 108.885 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.43 -148.17 0.27 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.491 1.117 . . . . 0.0 109.885 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -77.0 -47.37 20.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.958 1.303 . . . . 0.0 110.099 -168.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -142.32 0.1 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.005 0.907 . . . . 0.0 112.408 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -109.95 138.55 46.16 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB1' ' HZ ' ' A' ' 38' ' ' PHE . . . -85.85 108.77 18.29 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 167.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.6 mt -78.03 129.53 37.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -117.2 83.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 12.3 mtp180 -66.49 130.72 44.13 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.34 147.2 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -128.98 143.43 50.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.07 143.84 15.53 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.001 1.286 . . . . 0.0 110.46 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.25 148.06 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.192 1.797 . . . . 0.0 109.307 159.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 57' ' ' MET . 5.7 tp -109.38 127.46 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -167.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -147.73 -175.29 4.81 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.443 1.097 . . . . 0.0 111.37 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.08 63.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.845 2.058 . . . . 0.0 114.99 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.66 -35.58 29.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 120.322 1.419 . . . . 0.0 109.487 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.78 -13.11 37.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 -165.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.1 p -63.75 0.99 0.68 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 130.581 3.552 . . . . 0.0 114.24 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -120.56 -25.3 5.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.883 159.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.69 -66.66 0.52 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.625 1.102 . . . . 0.0 111.723 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 31' ' ' LEU . 7.0 tt -49.76 -45.38 49.48 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.027 1.285 . . . . 0.0 110.255 176.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -55.48 -50.86 68.81 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.83 -50.74 72.28 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.952 1.301 . . . . 0.0 110.367 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -48.27 -43.26 32.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 125.084 1.49 . . . . 0.0 108.603 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.23 -48.25 8.71 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.137 -1.411 . . . . 0.0 109.852 -168.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -62.22 -32.38 73.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 121.911 2.141 . . . . 0.0 111.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -67.62 -48.79 65.75 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' HZ ' ' HB1' ' A' ' 15' ' ' ALA . 62.5 t80 -73.59 -38.61 65.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -172.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.05 -36.83 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 119.846 1.203 . . . . 0.0 111.467 169.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -53.16 58.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 173.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 m -53.56 -54.84 31.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.584 1.153 . . . . 0.0 111.794 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.4 t -72.36 126.5 29.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -137.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 m -59.5 -11.37 4.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.177 1.791 . . . . 0.0 113.532 170.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -107.44 166.08 10.92 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 119.654 1.116 . . . . 0.0 109.752 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -110.3 -41.41 4.4 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-O 116.981 -1.485 . . . . 0.0 111.037 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' HG13 ' A' ' 47' ' ' ILE . 4.2 mtmm -70.37 145.43 51.13 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 120.835 1.652 . . . . 0.0 110.678 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 78' ' ' GLU . 49.7 mt -137.69 93.21 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.94 104.84 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.16 155.3 23.84 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.479 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.5 t0 -133.6 107.97 8.3 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.851 1.66 . . . . 0.0 107.298 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.07 19.63 20.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.46 1.504 . . . . 0.0 111.178 -167.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 t -51.59 -30.88 22.74 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 175.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -98.03 -5.38 34.11 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.982 1.713 . . . . 0.0 112.268 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -83.14 89.6 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -80.83 -25.01 38.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.025 -1.047 . . . . 0.0 113.007 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -136.14 156.87 48.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.419 ' HG3' ' CG2' ' A' ' 23' ' ' ILE . 10.5 ttt -147.4 138.39 23.63 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 107.544 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.84 174.59 5.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.674 0.79 . . . . 0.0 109.43 166.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m -51.92 -29.02 18.4 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.547 1.139 . . . . 0.0 112.321 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.41 86.33 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.904 0.882 . . . . 0.0 109.46 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.22 59.76 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 125.31 1.433 . . . . 0.0 110.635 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.79 -52.97 46.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.259 1.424 . . . . 0.0 108.928 -172.458 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.422 ' HA2' HG12 ' A' ' 66' ' ' VAL . . . -60.45 -24.34 61.5 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.873 0.749 . . . . 0.0 111.475 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -86.46 -2.06 58.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.597 1.559 . . . . 0.0 111.354 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -117.89 -41.89 2.87 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG12 ' HA2' ' A' ' 63' ' ' GLY . 6.0 p -65.35 -20.27 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.41 0.624 . . . . 0.0 111.916 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.8 -40.63 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 121.399 -0.813 . . . . 0.0 110.629 167.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mm -69.06 -31.38 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.259 1.023 . . . . 0.0 109.035 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -54.31 -29.71 48.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.88 -1.138 . . . . 0.0 111.319 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -82.96 -62.2 1.66 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 115.821 -2.037 . . . . 0.0 109.32 164.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -44.94 -42.12 7.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 122.21 2.277 . . . . 0.0 113.764 -171.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.66 -58.09 9.43 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.799 2.04 . . . . 0.0 109.586 173.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.69 58.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.979 1.712 . . . . 0.0 113.319 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -61.11 -41.38 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 121.214 1.824 . . . . 0.0 108.482 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.64 12.58 16.43 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.661 0.664 . . . . 0.0 112.168 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.72 48.0 87.29 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 125.394 1.473 . . . . 0.0 112.855 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -120.5 167.83 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.791 0.796 . . . . 0.0 111.021 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -89.87 -175.33 4.58 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 128.012 2.525 . . . . 0.0 111.133 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.17 124.16 0.32 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.798 2.039 . . . . 0.0 108.049 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.3 mt -144.52 144.29 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -106.51 138.67 42.27 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.789 1.236 . . . . 0.0 109.533 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 164.89 27.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.825 0.45 . . . . 0.0 110.884 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t 45.01 44.96 8.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.353 1.461 . . . . 0.0 111.467 -170.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 103' ' ' ILE . 20.0 mt -71.42 124.17 24.0 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.276 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.43 155.03 22.71 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-O 122.906 1.336 . . . . 0.0 109.768 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.37 -29.6 67.42 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.909 -1.95 . . . . 0.0 109.84 -174.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -79.19 -4.69 51.74 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.652 1.181 . . . . 0.0 112.109 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.83 -39.23 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 124.901 1.28 . . . . 0.0 108.585 -172.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.7 t -55.8 -47.47 77.07 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.266 1.026 . . . . 0.0 108.649 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -60.32 -37.21 79.91 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 120.676 -1.265 . . . . 0.0 113.258 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.66 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.3 -32.4 66.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.819 171.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -69.67 -49.53 52.66 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 122.58 2.446 . . . . 0.0 111.924 174.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.65 -23.55 6.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.011 1.724 . . . . 0.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -120.11 27.96 8.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.635 1.574 . . . . 0.0 111.666 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 46.34 44.39 12.58 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.707 2.403 . . . . 0.0 114.537 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -112.17 -42.62 3.69 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 128.22 2.608 . . . . 0.0 108.38 -170.244 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -35.47 67.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 110.332 172.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -7.68 47.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.1 pt -134.0 -26.29 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.481 1.113 . . . . 0.0 112.181 -169.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.8 m-30 -74.86 -169.28 0.86 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.157 1.783 . . . . 0.0 109.872 169.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -133.39 134.34 43.56 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 119.094 0.861 . . . . 0.0 109.251 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 84' ' ' LEU . 4.1 mp -124.23 127.59 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 124.7 1.25 . . . . 0.0 108.275 -169.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 p -123.5 173.53 7.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 127.031 2.132 . . . . 0.0 109.075 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.58 -71.35 0.67 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 p -93.4 153.51 18.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.456 1.502 . . . . 0.0 108.352 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.84 -14.24 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.143 167.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -75.16 -22.32 58.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.574 1.95 . . . . 0.0 112.24 170.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -2.04 45.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.1 0.96 . . . . 0.0 111.863 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.387 0 CA-C-O 116.95 -1.5 . . . . 0.0 113.327 -165.79 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.497 -1.058 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.76 133.97 40.65 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.26 -16.41 19.42 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.005 1.322 . . . . 0.0 111.761 -168.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.2 mt 35.16 119.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.937 1 C-N-CA 132.412 4.285 . . . . 0.0 115.153 169.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.96 85.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 C-N-CA 127.842 2.457 . . . . 0.0 106.2 -174.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.66 112.64 3.76 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 6.3 tm0? -79.75 -147.62 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.96 -60.28 2.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.402 -1.436 . . . . 0.0 109.778 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -139.6 3.31 2.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 122.616 1.198 . . . . 0.0 111.527 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 14.3 ptmt -119.98 140.93 50.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 130.636 3.574 . . . . 0.0 106.098 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -107.97 109.97 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.918 1.287 . . . . 0.0 108.193 -176.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.401 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 34.8 mt -84.69 105.25 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.74 96.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 162.14 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 6.0 mtm180 -68.9 124.6 24.15 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 161.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 49' ' ' LEU . 69.7 t -86.23 148.26 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 171.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -113.51 154.31 27.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 154.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.67 150.01 13.46 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.74 1.638 . . . . 0.0 112.295 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -55.36 173.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 129.273 3.029 . . . . 0.0 113.298 167.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.428 HG22 ' CG1' ' A' ' 54' ' ' VAL . 14.9 tt -136.02 115.0 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 120.102 -1.624 . . . . 0.0 112.16 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.76 -168.99 3.14 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 110.317 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.03 -33.09 64.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.333 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.02 -34.7 79.07 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 121.351 1.887 . . . . 0.0 110.833 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -98.96 -6.73 28.18 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -170.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 8.7 t -68.0 -13.1 61.91 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.021 2.128 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -106.81 -26.49 11.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 119.973 1.26 . . . . 0.0 111.004 163.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -61.65 1.71 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 119.227 0.921 . . . . 0.0 110.133 -175.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.9 tp -53.1 -44.24 67.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.291 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 28' ' ' SER . 24.3 ttmt -54.6 -52.87 60.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.19 0.596 . . . . 0.0 110.829 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.59 -41.0 80.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -58.88 -35.25 72.7 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.998 0.919 . . . . 0.0 109.179 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.81 -46.04 9.79 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-O 115.412 -2.232 . . . . 0.0 111.342 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -56.56 -35.63 68.38 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 123.481 2.855 . . . . 0.0 110.785 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -79.05 -37.6 38.56 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.899 0.879 . . . . 0.0 110.519 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -70.82 -49.7 43.51 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.374 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.469 ' HA ' HG22 ' A' ' 42' ' ' THR . 16.8 mt -49.27 -42.21 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.393 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -59.16 -37.94 78.54 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.416 0.553 . . . . 0.0 111.102 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.7 m -71.53 -58.16 3.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.053 0.941 . . . . 0.0 111.622 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 39' ' ' ILE . 12.1 t -58.74 118.47 5.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.444 1.116 . . . . 0.0 111.299 -145.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 m -60.02 -32.2 70.66 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.877 0.871 . . . . 0.0 111.899 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.69 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 38.4 mmtm -79.06 160.43 27.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 124.297 1.039 . . . . 0.0 108.853 -175.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -106.21 -39.66 5.87 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 117.873 -1.06 . . . . 0.0 111.838 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -76.47 98.26 4.55 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 116.809 -1.567 . . . . 0.0 110.266 -176.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -83.43 102.23 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 121.243 1.838 . . . . 0.0 107.319 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 71.0 t -96.42 120.96 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 128.442 2.697 . . . . 0.0 107.823 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD12 ' CG2' ' A' ' 19' ' ' VAL . 3.9 mm? -111.0 108.99 18.91 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 123.169 0.588 . . . . 0.0 111.395 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 11.7 t70 -79.47 115.98 19.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 116.305 -1.807 . . . . 0.0 111.587 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.283 0.8 OUTLIER -102.81 22.15 14.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 121.943 2.156 . . . . 0.0 115.454 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -69.43 -23.24 63.66 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.844 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -81.4 -35.64 30.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 120.202 1.364 . . . . 0.0 110.934 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' HG22 ' A' ' 23' ' ' ILE . 58.3 t -60.65 95.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.886 -168.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.6 m -93.23 -7.23 45.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.48 146.99 30.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.422 ' HG3' HG23 ' A' ' 23' ' ' ILE . 10.6 ttt -136.87 153.1 50.86 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.988 0.915 . . . . 0.0 108.997 169.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -133.39 169.24 17.23 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.046 1.738 . . . . 0.0 108.364 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -34.88 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 1 C-N-CA 131.896 4.078 . . . . 0.0 113.495 165.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.55 41.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -37.23 -59.98 1.14 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 128.855 3.122 . . . . 0.0 113.639 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.1 -30.13 67.26 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.854 -2.557 . . . . 0.0 110.758 -169.458 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.427 ' HA2' HG12 ' A' ' 66' ' ' VAL . . . -63.35 -30.76 78.54 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.724 1.154 . . . . 0.0 112.196 167.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 33.7 m -72.79 -35.39 67.36 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 126.881 2.073 . . . . 0.0 108.161 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.43 -46.04 15.18 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.276 0.489 . . . . 0.0 110.765 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.427 HG12 ' HA2' ' A' ' 63' ' ' GLY . 4.2 p -74.37 -12.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.014 -1.054 . . . . 0.0 112.76 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.27 -40.89 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.186 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mm -67.83 -27.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 124.221 1.009 . . . . 0.0 109.212 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.62 -16.64 40.53 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.426 -0.796 . . . . 0.0 111.253 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -82.87 -61.51 1.85 Allowed 'General case' 0 C--O 1.22 -0.464 0 O-C-N 120.274 -1.516 . . . . 0.0 110.766 156.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -47.4 -47.06 26.6 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.026 1.739 . . . . 0.0 114.03 -170.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.12 -50.65 72.15 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.665 1.586 . . . . 0.0 108.636 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -51.28 61.55 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.322 -1.323 . . . . 0.0 110.911 173.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.87 -46.17 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 120.18 1.354 . . . . 0.0 109.641 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' O ' ' HE2' ' A' ' 77' ' ' LYS . 1.8 t-20 -88.7 1.13 55.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.007 0.432 . . . . 0.0 111.818 -171.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.89 32.63 48.97 Favored Glycine 0 N--CA 1.443 -0.898 0 O-C-N 121.657 -0.652 . . . . 0.0 112.478 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' A' ' 75' ' ' ASN . 62.0 mmtt -110.84 149.49 30.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.03 0.915 . . . . 0.0 108.556 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -85.57 175.95 8.49 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.055 1.342 . . . . 0.0 109.309 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -150.12 132.0 15.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 120.721 -1.237 . . . . 0.0 109.309 -172.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 mt -145.55 153.85 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -119.59 143.31 47.71 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 168.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 m -142.93 162.01 36.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.514 1.125 . . . . 0.0 108.462 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m 55.44 70.37 0.64 Allowed 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 141.86 31.55 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 121.958 0.885 . . . . 0.0 110.177 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -72.44 150.57 43.22 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 107.759 168.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.22 -41.36 71.95 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -62.73 -17.51 60.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.151 1.38 . . . . 0.0 112.862 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.8 mm -117.33 -39.6 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 C-N-CA 125.74 1.616 . . . . 0.0 107.552 -167.474 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -43.25 99.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -58.66 -37.84 76.84 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.54 170.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -66.38 -47.13 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 -172.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.79 -50.81 69.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.49 -51.59 68.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.502 1.121 . . . . 0.0 111.418 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 mt -46.25 -58.94 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 127.568 2.347 . . . . 0.0 109.439 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.68 1.82 9.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.95 27.06 4.52 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 127.649 2.38 . . . . 0.0 111.95 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -38.33 38.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 125.265 1.426 . . . . 0.0 110.171 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -30.19 70.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 120.904 -1.123 . . . . 0.0 111.192 -169.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.81 -6.02 41.98 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.305 1.842 . . . . 0.0 114.254 176.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -127.95 -14.81 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.596 1.158 . . . . 0.0 111.717 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.71 -178.09 3.55 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.936 2.495 . . . . 0.0 109.868 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -113.39 133.88 54.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -128.91 134.58 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.85 174.08 10.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.074 1.75 . . . . 0.0 109.864 175.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -44.35 10.09 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 123.59 1.662 . . . . 0.0 110.783 -165.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.0 p -125.01 158.84 32.71 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.1 m -58.96 -33.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.22 -37.92 70.33 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.679 1.192 . . . . 0.0 112.828 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -77.26 -8.11 57.05 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.425 -0.797 . . . . 0.0 112.169 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.5 1.12 . . . . 0.0 108.728 176.708 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 121.916 0.865 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -123.41 176.1 6.35 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 165.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 -42.38 2.49 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.682 0.674 . . . . 0.0 111.311 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.7 mt 64.91 124.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 129.243 3.017 . . . . 0.0 113.116 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.95 87.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 127.19 2.196 . . . . 0.0 105.923 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -61.61 113.25 2.6 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.598 -1.314 . . . . 0.0 108.126 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.69 -154.4 0.18 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.89 2.076 . . . . 0.0 108.069 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.32 -56.52 19.5 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.812 1.245 . . . . 0.0 109.806 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.59 11.28 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -117.75 147.86 42.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.057 -1.027 . . . . 0.0 109.242 165.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.29 109.0 20.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.8 mt -77.46 87.5 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.615 ' HB ' HD13 ' A' ' 49' ' ' LEU . 31.1 t -86.4 90.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 123.819 1.771 . . . . 0.0 108.459 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -67.62 116.79 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 49' ' ' LEU . 49.4 t -98.62 143.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 120.698 1.59 . . . . 0.0 108.47 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -132.84 150.12 52.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.555 1.142 . . . . 0.0 111.705 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.15 150.11 5.29 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.511 1.529 . . . . 0.0 111.393 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.39 143.28 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 109.908 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG23 ' HG3' ' A' ' 57' ' ' MET . 14.9 tt -103.97 116.63 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.522 0.677 . . . . 0.0 110.036 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -150.66 -179.76 7.52 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.212 1.005 . . . . 0.0 111.869 -155.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -16.38 9.34 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.121 -1.612 . . . . 0.0 112.982 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -37.1 27.19 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.547 1.539 . . . . 0.0 108.369 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -14.51 59.94 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.693 0.797 . . . . 0.0 109.043 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.84 -18.64 5.1 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 124.774 1.296 . . . . 0.0 113.14 -166.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 p -121.08 -22.76 6.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 116.997 -1.478 . . . . 0.0 112.977 165.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.29 -69.22 0.28 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.155 1.343 . . . . 0.0 108.272 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.14 -36.55 80.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -57.29 -45.46 84.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.43 -1.271 . . . . 0.0 109.636 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.78 -50.5 56.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.991 1.268 . . . . 0.0 109.763 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.729 ' HB3' HD11 ' A' ' 6' ' ' LEU . 19.0 mm-40 -61.1 -8.01 3.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.098 1.759 . . . . 0.0 112.212 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.71 -49.54 2.54 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 115.03 -2.414 . . . . 0.0 111.707 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -54.37 -36.83 64.29 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 123.992 3.087 . . . . 0.0 110.321 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -72.04 -52.13 18.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -64.1 -43.67 94.66 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.074 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.3 OUTLIER -47.78 -35.11 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.557 170.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.6 p -68.73 -50.4 51.0 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.232 1.378 . . . . 0.0 109.538 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.83 -43.64 98.25 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.809 0.844 . . . . 0.0 112.411 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 39' ' ' ILE . 9.7 t -59.98 130.07 44.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.468 1.127 . . . . 0.0 110.405 -151.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -79.7 -6.28 56.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.859 1.664 . . . . 0.0 111.755 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -119.15 150.21 40.43 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.89 1.276 . . . . 0.0 108.761 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -34.21 13.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 118.456 -0.783 . . . . 0.0 113.055 -170.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -78.38 91.9 4.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 117.207 -1.377 . . . . 0.0 110.441 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -83.14 98.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.54 132.66 39.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.615 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.2 mm? -122.83 110.51 15.54 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.332 -169.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -100.06 126.87 46.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.48 1.912 . . . . 0.0 111.282 -170.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.84 18.91 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.911 0.884 . . . . 0.0 113.026 -169.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.0 p -63.03 -25.01 68.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.538 -0.726 . . . . 0.0 112.116 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -78.95 -41.16 29.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.75 -1.219 . . . . 0.0 109.994 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -73.09 112.78 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 125.168 1.387 . . . . 0.0 110.297 -166.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -108.42 -26.95 10.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -167.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -110.69 171.32 7.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.069 1.747 . . . . 0.0 107.704 167.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.426 ' HG3' HG23 ' A' ' 23' ' ' ILE . 13.4 ttt -160.59 119.97 2.7 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.285 1.034 . . . . 0.0 109.103 170.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -84.79 166.97 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.302 1.041 . . . . 0.0 110.444 170.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.418 ' HA ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -44.17 -38.23 3.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.699 2.0 . . . . 0.0 112.759 161.687 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.27 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.283 0.633 . . . . 0.0 110.755 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.24 -59.06 8.31 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.55 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.57 -41.39 96.31 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.0 -171.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.66 -22.92 48.21 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.02 0.827 . . . . 0.0 113.268 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -100.36 -12.73 19.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 126.665 1.986 . . . . 0.0 110.239 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -96.73 -42.24 8.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.039 0.936 . . . . 0.0 110.037 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.67 -26.97 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.169 -1.582 . . . . 0.0 111.538 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.57 -35.88 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.905 1.282 . . . . 0.0 111.297 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.0 mm -69.57 -27.23 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.297 -173.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -49.9 64.49 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.12 1.327 . . . . 0.0 108.572 170.324 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -65.56 -64.13 0.93 Allowed 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 -41.54 4.57 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.111 1.364 . . . . 0.0 113.73 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -60.76 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.915 0.886 . . . . 0.0 109.266 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.43 -41.37 60.76 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 0.0 112.102 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.42 -43.07 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 128.702 2.801 . . . . 0.0 108.437 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -93.21 6.01 49.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.828 1.251 . . . . 0.0 112.068 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.52 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.847 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -105.74 168.74 8.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.74 1.616 . . . . 0.0 109.71 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -116.22 165.77 12.79 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.568 1.547 . . . . 0.0 110.373 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -150.23 124.91 9.73 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.211 1.004 . . . . 0.0 108.714 -169.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 102' ' ' LYS . 57.1 mt -142.56 144.73 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.56 154.15 19.1 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 119.722 1.146 . . . . 0.0 110.133 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 p -141.93 163.83 31.82 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.14 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.97 49.95 3.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.399 1.88 . . . . 0.0 113.48 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 103' ' ' ILE . 13.3 mt -75.23 151.95 38.37 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.698 -1.251 . . . . 0.0 109.541 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -94.62 153.52 17.8 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.833 0.453 . . . . 0.0 110.564 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.73 -16.63 64.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.653 1.181 . . . . 0.0 112.66 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -88.42 -8.32 55.16 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.764 -0.585 . . . . 0.0 111.804 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.78 -41.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.46 1.504 . . . . 0.0 107.952 -161.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -46.81 78.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -57.43 -39.55 76.45 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 124.545 1.138 . . . . 0.0 111.142 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.2 -50.15 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.57 -51.1 71.34 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -49.64 -54.16 20.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.284 1.034 . . . . 0.0 110.805 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.63 -52.81 53.81 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.201 2.2 . . . . 0.0 109.645 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -68.86 4.39 1.51 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.66 32.45 22.18 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.347 1.459 . . . . 0.0 110.978 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.78 19.33 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.697 -1.252 . . . . 0.0 109.817 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.81 62.98 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.019 -1.676 . . . . 0.0 112.334 -175.591 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -63.73 -16.5 61.28 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.017 1.327 . . . . 0.0 113.18 170.806 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.9 pt -142.95 -0.79 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.833 1.253 . . . . 0.0 111.786 -159.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -113.45 -169.61 1.53 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.672 2.789 . . . . 0.0 108.028 174.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 80' ' ' ILE . 27.7 tttt -140.6 137.22 33.49 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.843 -1.075 . . . . 0.0 108.399 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -133.81 136.21 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 124.332 1.02 . . . . 0.0 109.116 -169.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -134.89 -169.75 2.42 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.092 0.957 . . . . 0.0 111.46 170.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.71 -44.99 3.73 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 125.968 1.707 . . . . 0.0 109.963 -171.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -117.63 149.64 40.36 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.4 m -55.0 -27.63 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.126 0.97 . . . . 0.0 111.042 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.85 -35.98 82.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -12.37 58.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.631 1.572 . . . . 0.0 112.84 -177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 C-N-CA 125.474 1.51 . . . . 0.0 109.375 176.864 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mttp . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.865 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.7 157.14 24.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.911 2.084 . . . . 0.0 108.372 -178.6 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -107.98 -51.38 2.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.675 0.75 . . . . 0.0 112.238 -168.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.6 mt 67.98 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 129.366 3.067 . . . . 0.0 113.032 168.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -142.42 101.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 127.768 2.427 . . . . 0.0 107.844 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -71.4 106.79 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 120.228 -1.545 . . . . 0.0 106.952 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -79.25 -158.66 0.16 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -65.59 -47.82 74.43 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.02 -1.05 . . . . 0.0 109.81 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -135.9 -9.11 2.09 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.038 2.135 . . . . 0.0 111.334 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.28 127.67 48.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.648 1.979 . . . . 0.0 108.379 -167.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -85.7 107.05 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.68 109.17 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.58 97.55 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 167.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -74.78 133.72 41.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 166.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.8 t -107.87 145.4 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -123.01 141.22 52.2 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.454 1.502 . . . . 0.0 107.222 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.62 146.69 21.09 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-O 123.47 1.594 . . . . 0.0 111.925 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.04 143.95 37.03 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.964 2.105 . . . . 0.0 106.977 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -110.05 125.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.889 0.852 . . . . 0.0 111.943 -153.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -161.13 -171.02 2.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.129 1.372 . . . . 0.0 110.394 -163.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.11 60.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.865 2.066 . . . . 0.0 114.813 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.18 -17.59 56.62 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.682 1.583 . . . . 0.0 110.432 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -109.56 -11.64 14.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.851 1.26 . . . . 0.0 110.614 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -66.85 -6.18 15.33 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.91 1.684 . . . . 0.0 112.993 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -120.09 -31.08 4.52 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.688 162.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.26 -69.88 0.26 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.409 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.99 -41.55 47.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.352 0.978 . . . . 0.0 110.772 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' HD11 ' A' ' 68' ' ' ILE . 35.3 ttpt -52.34 -57.27 10.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.931 0.492 . . . . 0.0 110.112 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.13 -49.29 72.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.724 1.209 . . . . 0.0 109.888 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' HD11 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -65.36 -7.34 13.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.658 1.583 . . . . 0.0 112.389 -175.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.5 mt -104.69 -53.16 2.74 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-O 116.477 -1.725 . . . . 0.0 109.39 169.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 -62.39 -34.93 77.69 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 123.092 2.678 . . . . 0.0 111.199 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -79.16 -19.67 50.41 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.943 1.297 . . . . 0.0 110.901 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -84.94 -62.28 1.58 Allowed 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 116.036 -1.935 . . . . 0.0 109.121 173.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -43.46 -37.11 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.362 1.465 . . . . 0.0 112.842 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -57.07 -32.09 65.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.168 0.587 . . . . 0.0 111.638 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.68 -42.93 7.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.47 1.908 . . . . 0.0 107.984 -174.128 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 m -45.13 112.79 0.48 Allowed 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 126.507 1.923 . . . . 0.0 114.747 -163.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -68.82 -7.26 32.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.98 1.712 . . . . 0.0 113.991 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 73.1 mmtt -121.19 108.55 13.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -166.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.41 -36.5 82.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.013 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -77.13 90.84 3.66 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.52 95.53 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 107' ' ' VAL . 1.4 t -80.74 144.79 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.631 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.21 151.28 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.491 1.116 . . . . 0.0 108.296 168.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -129.82 121.02 25.95 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.361 1.864 . . . . 0.0 108.463 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.29 18.02 14.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.665 1.586 . . . . 0.0 112.483 -168.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -34.43 10.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.511 1.924 . . . . 0.0 111.875 174.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -91.93 -2.48 56.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.379 1.872 . . . . 0.0 113.998 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.13 84.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.011 1.278 . . . . 0.0 107.819 -164.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -18.83 57.25 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 118.146 -0.93 . . . . 0.0 112.276 -173.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -138.4 152.13 48.11 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.032 1.333 . . . . 0.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ttt -147.54 124.12 11.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.685 1.594 . . . . 0.0 107.191 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -89.67 171.19 9.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.6 m -44.95 -18.02 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.695 2.798 . . . . 0.0 113.505 160.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 -48.43 52.97 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.734 1.214 . . . . 0.0 109.933 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.86 -47.72 89.1 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-O 122.203 0.891 . . . . 0.0 112.692 -166.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.54 -42.04 92.37 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.588 -0.948 . . . . 0.0 110.201 -174.675 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.12 72.87 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.229 1.395 . . . . 0.0 112.106 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.3 m -88.49 -22.15 23.8 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 125.77 1.628 . . . . 0.0 109.059 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.0 mt -87.72 -47.3 8.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.794 0.725 . . . . 0.0 110.938 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.6 -26.69 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 120.915 -1.116 . . . . 0.0 112.301 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.81 -31.66 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 121.386 -0.821 . . . . 0.0 111.15 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 32' ' ' LYS . 6.0 mm -81.48 -29.22 10.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 126.581 1.952 . . . . 0.0 110.156 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.05 -32.31 61.8 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.804 -1.185 . . . . 0.0 109.644 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -68.08 -63.27 1.09 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.017 160.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -49.26 -38.56 27.29 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.386 1.903 . . . . 0.0 114.343 -168.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.83 -57.78 11.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.504 1.122 . . . . 0.0 108.825 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -52.08 -34.05 42.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.756 1.623 . . . . 0.0 112.978 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.74 -44.3 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 120.724 1.602 . . . . 0.0 109.143 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -95.34 14.05 23.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.592 1.157 . . . . 0.0 111.761 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.34 19.16 52.17 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.754 1.645 . . . . 0.0 113.93 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.99 153.99 28.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.63 178.25 8.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.22 1.808 . . . . 0.0 110.393 176.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -159.58 131.49 6.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.457 -0.777 . . . . 0.0 110.668 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.401 HG23 ' HG2' ' A' ' 102' ' ' LYS . 85.3 mt -142.12 149.88 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.184 1.794 . . . . 0.0 107.423 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -113.78 138.65 49.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.439 1.096 . . . . 0.0 108.096 169.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 167.79 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.729 0.811 . . . . 0.0 112.541 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 50.13 38.37 16.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.43 2.292 . . . . 0.0 112.112 -169.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.592 HD12 HG23 ' A' ' 103' ' ' ILE . 14.0 mt -68.75 116.92 9.81 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.994 1.718 . . . . 0.0 109.914 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -61.89 144.08 55.47 Favored 'General case' 0 CA--C 1.493 -1.238 0 C-N-CA 124.487 1.115 . . . . 0.0 112.044 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.85 -25.93 68.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.969 -170.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 m -90.93 -7.15 52.91 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mm -104.1 -32.09 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.485 1.514 . . . . 0.0 108.689 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 m -61.48 -48.84 79.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.72 -44.21 63.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.044 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -47.53 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 108.604 -170.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.89 -51.63 66.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -41.63 73.96 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 119.151 0.887 . . . . 0.0 112.233 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 mt -63.71 -57.36 10.24 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 -170.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -71.32 -8.32 52.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.242 1.417 . . . . 0.0 113.058 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 95.2 8.54 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 130.806 3.642 . . . . 0.0 112.812 169.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.45 -33.06 70.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 120.581 -1.325 . . . . 0.0 113.021 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -18.36 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 119.455 1.025 . . . . 0.0 112.193 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -8.19 59.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.402 1.001 . . . . 0.0 113.354 171.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -134.89 8.7 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.797 1.239 . . . . 0.0 111.687 -167.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -129.0 176.38 7.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.532 2.733 . . . . 0.0 108.598 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HG2' HG23 ' A' ' 80' ' ' ILE . 47.8 tttt -114.21 140.12 48.82 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 124.054 0.941 . . . . 0.0 109.77 170.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG23 HD12 ' A' ' 84' ' ' LEU . 4.7 mp -131.89 135.07 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 O-C-N 125.291 1.619 . . . . 0.0 107.727 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 p -141.58 176.63 8.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.303 2.241 . . . . 0.0 108.942 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 -53.41 4.9 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.929 1.292 . . . . 0.0 109.975 -172.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -122.32 154.92 36.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -167.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 48' ' ' VAL . 34.4 m -67.57 -17.99 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.998 0.904 . . . . 0.0 110.102 171.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.48 -45.2 92.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.119 166.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -17.3 52.24 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.998 1.726 . . . . 0.0 112.665 -172.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.873 0.469 . . . . 0.0 111.567 -174.333 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.669 0 CA-C-O 121.93 0.872 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.92 136.84 46.08 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -54.61 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.9 mt 65.38 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 129.484 3.113 . . . . 0.0 112.645 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.03 89.54 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 126.136 1.775 . . . . 0.0 106.793 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 113.06 2.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 167.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.35 -142.36 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.58 -65.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 126.985 2.114 . . . . 0.0 108.797 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -137.3 -2.57 2.01 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.922 1.689 . . . . 0.0 111.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -100.47 133.75 44.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.314 2.646 . . . . 0.0 108.065 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -96.16 101.44 13.09 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.92 126.7 36.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 105.774 -1.935 . . . . 0.0 105.774 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.75 90.82 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 1.3 mtt85 -76.68 117.45 18.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.35 142.12 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 57.8 mt-30 -116.24 152.21 34.24 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.206 1.002 . . . . 0.0 110.023 172.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 83.98 159.64 29.41 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.821 1.676 . . . . 0.0 112.906 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.22 155.56 40.47 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.412 1.885 . . . . 0.0 107.483 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 57' ' ' MET 0.259 1.0 OUTLIER -109.65 59.73 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 123.144 1.449 . . . . 0.0 108.31 -160.855 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -174.91 2.76 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.272 1.429 . . . . 0.0 109.992 -171.673 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.68 -19.69 2.56 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 119.542 -1.974 . . . . 0.0 113.916 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -62.25 -37.21 84.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.943 1.297 . . . . 0.0 111.553 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -17.77 41.74 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 120.966 -1.084 . . . . 0.0 109.748 175.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -60.73 -10.52 5.51 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -171.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 p -120.64 -23.52 6.01 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.739 154.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.12 -68.63 0.35 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 121.032 1.742 . . . . 0.0 109.873 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.5 -35.75 70.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 119.623 -1.923 . . . . 0.0 111.293 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.12 -49.69 76.66 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.892 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.02 -46.09 82.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.905 1.229 . . . . 0.0 109.116 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.81 -5.55 44.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.404 1.082 . . . . 0.0 111.098 -169.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.9 mt -112.71 -46.17 3.16 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 115.961 -1.971 . . . . 0.0 110.061 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -56.59 -41.71 77.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 121.618 2.008 . . . . 0.0 109.561 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -68.59 -43.01 77.41 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.25 92.63 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.907 1.283 . . . . 0.0 110.707 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -34.11 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.666 1.121 . . . . 0.0 111.926 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -54.07 32.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.692 0.797 . . . . 0.0 110.202 170.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.6 m -60.08 -34.22 73.16 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 t -66.54 117.33 8.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.998 1.38 . . . . 0.0 110.671 -157.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -30.16 69.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.559 1.943 . . . . 0.0 110.623 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 3.2 mptt -90.44 172.69 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.088 1.755 . . . . 0.0 108.302 -174.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HE3' ' HE2' ' A' ' 77' ' ' LYS . 5.3 mmtp -118.18 -32.03 4.83 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -91.26 99.79 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.644 -1.169 . . . . 0.0 109.956 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mm -90.15 109.32 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.02 102.36 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.546 1.539 . . . . 0.0 108.795 -169.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HB2' HD23 ' A' ' 81' ' ' LEU . 2.8 mm? -89.37 112.2 23.24 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.635 1.174 . . . . 0.0 111.04 -173.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 22.8 t0 -93.13 133.32 36.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.857 2.063 . . . . 0.0 110.318 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 HG21 ' A' ' 54' ' ' VAL . 3.3 mm? -124.1 20.42 9.04 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.8 p -58.49 -27.29 64.31 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.948 -1.095 . . . . 0.0 112.627 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.1 -36.49 74.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.969 0.908 . . . . 0.0 111.614 174.332 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' GLY . 45.7 t -92.7 97.13 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.514 1.126 . . . . 0.0 108.036 -148.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -90.72 -22.81 20.92 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.436 1.495 . . . . 0.0 112.879 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -130.35 150.45 51.58 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.519 1.128 . . . . 0.0 109.182 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.523 ' HG3' HG23 ' A' ' 23' ' ' ILE . 3.8 ttt -140.11 136.3 33.42 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.344 1.458 . . . . 0.0 108.52 172.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -110.26 175.88 5.26 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.465 0.65 . . . . 0.0 109.589 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -64.9 -6.39 8.24 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.3 -22.5 26.73 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.26 1.846 . . . . 0.0 109.785 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.95 -66.59 2.71 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 124.604 2.224 . . . . 0.0 109.636 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.75 -28.19 67.16 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 119.155 -2.379 . . . . 0.0 112.363 -178.136 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.93 -7.8 85.06 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 128.683 3.039 . . . . 0.0 112.481 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -89.7 -54.09 4.22 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 127.395 2.278 . . . . 0.0 105.775 165.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.17 -44.58 94.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.828 -0.545 . . . . 0.0 111.907 -169.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.96 -20.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.2 t -69.89 -40.02 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.02 -25.72 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -55.6 -18.63 8.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.082 0.953 . . . . 0.0 112.099 171.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -99.69 -56.34 2.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 116.22 -1.847 . . . . 0.0 110.06 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.64 -45.04 6.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.219 1.827 . . . . 0.0 112.454 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.17 25.01 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.326 0.65 . . . . 0.0 109.747 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -34.04 62.51 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.228 1.811 . . . . 0.0 112.141 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.76 -41.77 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.862 1.21 . . . . 0.0 109.352 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -99.76 12.65 36.09 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.53 24.9 71.58 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.122 1.344 . . . . 0.0 113.86 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HE2' ' HE3' ' A' ' 45' ' ' LYS . 16.2 mmtt -103.67 159.11 15.89 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 119.338 1.569 . . . . 0.0 109.96 -174.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.43 -174.42 3.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.249 1.02 . . . . 0.0 110.04 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -164.82 127.8 2.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.923 0.889 . . . . 0.0 110.405 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.9 mt -142.77 152.67 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 128.109 2.564 . . . . 0.0 105.783 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 49' ' ' LEU . 62.2 mt -116.85 134.9 54.2 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 171.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.22 162.11 27.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.971 0.891 . . . . 0.0 110.984 171.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 60.19 30.34 19.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.856 1.262 . . . . 0.0 112.936 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 103' ' ' ILE . 13.5 mt -63.54 144.84 56.66 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -77.73 153.25 33.14 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.52 -33.87 71.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.376 0.608 . . . . 0.0 109.418 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -59.49 -17.48 32.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.334 1.054 . . . . 0.0 111.817 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mm -120.33 -41.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.877 2.471 . . . . 0.0 107.25 -165.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.2 m -56.76 -49.25 75.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.829 0.823 . . . . 0.0 109.163 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -54.91 -35.96 64.69 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.589 0.756 . . . . 0.0 112.429 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -47.86 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -171.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.22 -54.21 43.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -52.28 -51.96 55.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.656 0.783 . . . . 0.0 111.209 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.163 0.985 . . . . 0.0 112.101 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.37 16.45 16.82 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 0.0 112.069 175.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 m80 52.99 23.41 2.89 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 128.353 2.661 . . . . 0.0 114.082 -173.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -33.68 46.62 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.031 0.832 . . . . 0.0 111.733 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.38 84.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.267 0.939 . . . . 0.0 110.013 -173.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.69 -10.84 40.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -124.82 -0.11 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.181 1.355 . . . . 0.0 111.712 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -124.68 -179.96 4.73 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 127.117 2.167 . . . . 0.0 108.569 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -123.06 131.42 53.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 124.668 1.187 . . . . 0.0 108.663 173.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -128.01 129.41 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -133.25 173.1 11.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.009 1.724 . . . . 0.0 108.048 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -45.48 8.23 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.395 1.478 . . . . 0.0 109.331 -162.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.7 p -129.99 150.99 51.02 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.35 -41.06 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.79 -38.56 34.84 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.29 1.436 . . . . 0.0 112.668 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -70.14 -29.46 66.39 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.376 -0.828 . . . . 0.0 112.792 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.85 0 C-N-CA 123.478 0.711 . . . . 0.0 110.318 -172.019 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.8 pttt . . . . . 0 CA--C 1.516 -0.336 0 CA-C-O 122.439 1.114 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.831 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -119.12 151.63 37.95 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 128.679 2.791 . . . . 0.0 106.461 169.7 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -47.19 3.42 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 123.135 0.574 . . . . 0.0 111.376 -172.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt 73.03 127.38 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 129.132 2.973 . . . . 0.0 112.349 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -146.78 74.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.108 2.963 . . . . 0.0 104.587 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -61.92 104.3 0.44 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.57 -1.331 . . . . 0.0 107.706 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -79.08 -157.62 0.13 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 108.523 175.693 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.17 -48.56 28.44 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.864 1.211 . . . . 0.0 112.388 -170.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -118.86 -10.14 9.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.046 0.939 . . . . 0.0 112.266 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.48 114.41 18.11 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.826 1.65 . . . . 0.0 108.592 -161.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.6 98.49 10.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.7 mt -85.32 118.98 33.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 118.232 -1.387 . . . . 0.0 107.608 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.82 93.96 3.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 126.418 1.887 . . . . 0.0 106.182 170.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -73.67 130.02 39.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -98.74 140.87 17.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -117.18 142.09 47.47 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.942 1.297 . . . . 0.0 110.728 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.5 161.07 34.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 156.99 18.45 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 125.752 1.621 . . . . 0.0 110.414 165.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 tt -116.03 135.13 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.684 1.994 . . . . 0.0 108.57 -174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 45.8 p30 -166.83 -162.88 0.51 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.673 1.589 . . . . 0.0 112.555 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.05 -23.95 3.45 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.774 2.029 . . . . 0.0 115.394 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -82.05 -36.51 27.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.719 1.6 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' HB3' ' H ' ' A' ' 24' ' ' ASP . 6.8 t-20 -71.26 -26.05 62.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.124 1.37 . . . . 0.0 109.01 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -57.93 -14.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.395 1.478 . . . . 0.0 112.376 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -118.29 -31.01 5.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.9 158.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -59.84 -69.07 0.23 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 119.629 1.104 . . . . 0.0 110.395 -174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.95 -34.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.54 -0.725 . . . . 0.0 111.439 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -58.3 -49.82 75.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.05 -51.05 61.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.039 0.836 . . . . 0.0 109.783 177.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.36 1.03 4.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.328 1.851 . . . . 0.0 112.187 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.9 mt -117.02 -44.12 2.82 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 115.558 -2.163 . . . . 0.0 109.738 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -66.95 -40.97 87.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 122.979 2.627 . . . . 0.0 110.297 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -74.69 -34.4 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.219 0.608 . . . . 0.0 109.744 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.87 -43.76 78.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.749 173.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.518 ' HA ' HG22 ' A' ' 42' ' ' THR . 10.3 mt -54.75 -45.26 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 119.263 0.938 . . . . 0.0 111.423 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -50.47 -47.59 57.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.71 0.686 . . . . 0.0 109.739 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.9 m -76.5 -44.88 33.34 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.689 0.796 . . . . 0.0 112.637 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.2 t -59.53 133.8 56.43 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.545 1.164 . . . . 0.0 111.222 -156.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 -11.33 57.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 110.854 -171.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HE3' ' O ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -116.83 170.76 8.37 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 127.213 2.205 . . . . 0.0 109.154 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -120.34 -31.4 4.37 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.524 -1.227 . . . . 0.0 113.673 -168.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.3 92.03 5.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.394 -1.289 . . . . 0.0 108.589 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.2 mm -85.3 105.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -98.99 135.56 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.24 107.92 13.12 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 118.917 0.781 . . . . 0.0 109.935 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.53 116.16 27.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.137 1.775 . . . . 0.0 109.376 -175.345 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 54' ' ' VAL . 2.9 mm? -101.16 22.35 12.5 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 121.228 1.831 . . . . 0.0 113.255 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.2 p -57.97 -29.18 65.01 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.48 1.112 . . . . 0.0 112.742 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.06 -18.36 21.08 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.199 -0.938 . . . . 0.0 111.334 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.677 HG21 HD12 ' A' ' 51' ' ' LEU . 25.5 t -78.11 107.06 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -173.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.7 m -108.45 -19.79 13.33 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.077 -167.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.79 149.57 52.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 168.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -145.4 154.11 41.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.47 179.43 6.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.357 1.863 . . . . 0.0 108.336 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -61.49 -17.27 53.85 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.56 98.53 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.537 0.735 . . . . 0.0 110.491 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.91 -54.03 41.37 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 125.434 1.492 . . . . 0.0 110.949 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -42.59 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.61 -175.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.12 -10.28 33.11 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.744 1.164 . . . . 0.0 113.627 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -104.95 -36.93 7.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 126.772 2.029 . . . . 0.0 108.879 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.36 -44.78 74.46 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 119.232 0.924 . . . . 0.0 110.284 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.38 -23.87 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.95 1.25 . . . . 0.0 113.517 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.26 -43.84 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.432 0.693 . . . . 0.0 109.46 168.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 18.1 mm -71.14 -20.01 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 125.147 1.379 . . . . 0.0 111.752 -175.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.05 -56.14 25.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.39 1.45 . . . . 0.0 108.158 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.98 -60.09 3.97 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 116.528 -1.701 . . . . 0.0 109.717 168.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 36.9 m-20 -58.15 -35.19 71.18 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.931 2.15 . . . . 0.0 112.585 -167.207 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.98 -54.46 45.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.289 1.035 . . . . 0.0 109.768 170.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.55 -37.54 40.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.082 1.353 . . . . 0.0 112.001 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.86 -37.66 61.56 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 120.158 1.345 . . . . 0.0 109.078 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.54 18.58 21.94 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 118.642 0.655 . . . . 0.0 112.073 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 35.57 92.26 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.621 1.105 . . . . 0.0 113.275 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -109.28 157.9 18.39 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.619 1.21 . . . . 0.0 109.041 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 79' ' ' PHE . 7.9 tp10 -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.206 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.427 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 20.0 t80 -167.47 114.81 0.76 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.112 -0.992 . . . . 0.0 110.315 -170.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.6 mt -139.58 147.34 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.2 mt -107.67 148.16 29.75 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.082 1.353 . . . . 0.0 108.374 172.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.46 168.27 23.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.445 1.098 . . . . 0.0 111.09 174.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m 46.29 70.88 0.34 Allowed 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.12 1.768 . . . . 0.0 114.92 -170.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 171.43 9.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.828 0.823 . . . . 0.0 109.244 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -110.58 157.15 19.98 Favored 'General case' 0 CA--C 1.486 -1.505 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.83 -31.56 72.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.328 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' SER . . . . . 0.46 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 1.4 m -72.33 -15.8 61.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -115.95 -40.01 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.067 1.347 . . . . 0.0 108.229 -164.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -59.43 -51.09 71.37 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 87' ' ' SER . 1.2 ptm180 -57.27 -32.59 66.76 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 116.803 -1.57 . . . . 0.0 112.136 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -46.85 83.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.239 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.31 -45.96 92.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -56.55 -53.24 59.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.796 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.79 -53.68 18.2 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.861 2.065 . . . . 0.0 109.387 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.38 7.96 10.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 59.97 28.15 17.64 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 127.697 2.399 . . . . 0.0 113.413 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.12 -37.1 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.457 1.503 . . . . 0.0 110.633 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -34.91 78.97 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.249 0.931 . . . . 0.0 109.85 -172.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -24.24 67.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 175.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 pt -115.08 -4.79 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.708 1.203 . . . . 0.0 111.197 -166.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.55 -176.73 2.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.544 2.338 . . . . 0.0 105.979 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -126.46 133.97 51.07 Favored 'General case' 0 CA--C 1.504 -0.789 0 O-C-N 121.133 -0.98 . . . . 0.0 108.429 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.56 137.94 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.32 179.84 6.08 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.431 2.292 . . . . 0.0 107.624 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -46.3 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 123.743 0.817 . . . . 0.0 109.694 -172.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.1 p -129.67 148.17 51.53 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.36 -17.32 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.566 -0.709 . . . . 0.0 111.008 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -45.48 92.41 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.144 1.778 . . . . 0.0 113.806 166.437 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.87 -16.14 62.68 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.404 1.457 . . . . 0.0 112.492 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 C-N-CA 124.99 1.316 . . . . 0.0 110.318 -177.13 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -116.77 -177.15 3.12 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 128.342 2.657 . . . . 0.0 108.931 -171.414 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.64 -39.25 2.01 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.639 1.176 . . . . 0.0 111.292 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt 54.62 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 130.193 3.397 . . . . 0.0 114.281 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.29 88.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 126.706 2.002 . . . . 0.0 107.917 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.07 117.17 14.48 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.31 -139.78 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.498 1.119 . . . . 0.0 108.347 -175.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.75 -53.76 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.944 -1.097 . . . . 0.0 111.707 171.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -135.01 -2.31 2.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.859 0.754 . . . . 0.0 112.93 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -107.31 140.46 40.18 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.942 1.297 . . . . 0.0 107.763 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -102.22 105.15 15.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.457 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 10.3 mt -79.62 126.46 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.69 81.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 36.1 mtt-85 -58.83 133.76 56.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.621 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 160.26 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.641 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -131.68 149.0 52.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.976 2.11 . . . . 0.0 107.897 161.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 90.67 161.62 37.57 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 124.36 0.981 . . . . 0.0 112.245 173.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.83 154.56 40.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.557 1.143 . . . . 0.0 108.309 169.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG13 HD22 ' A' ' 27' ' ' ASN . 10.3 tt -116.32 103.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 124.755 1.222 . . . . 0.0 111.289 -173.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -150.53 -171.48 3.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.15 1.38 . . . . 0.0 111.533 -164.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.06 -25.41 1.41 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.157 2.183 . . . . 0.0 114.771 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -87.26 -32.87 19.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.343 0.974 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.527 HD22 HG13 ' A' ' 23' ' ' ILE . 63.9 t30 -80.34 -14.14 58.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.215 1.006 . . . . 0.0 109.858 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -9.27 2.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.58 -27.32 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 116.691 -1.624 . . . . 0.0 111.915 163.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -75.2 0.08 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.586 1.084 . . . . 0.0 109.649 -174.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.85 -31.63 68.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.014 -1.054 . . . . 0.0 111.985 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HB2' HG23 ' A' ' 64' ' ' THR . 33.6 ttmt -55.96 -58.01 9.68 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.428 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.76 -49.84 74.79 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.428 1.091 . . . . 0.0 109.785 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 6' ' ' LEU . 13.1 mm-40 -67.22 -6.27 17.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 110.907 -172.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 mt -106.99 -54.5 2.46 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 113.974 -2.917 . . . . 0.0 111.693 168.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -52.26 -36.68 53.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 125.947 3.976 . . . . 0.0 110.963 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -68.69 -46.23 69.59 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -70.62 -40.75 72.96 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.184 -1.389 . . . . 0.0 112.913 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.08 -32.97 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 121.621 2.009 . . . . 0.0 112.952 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 t -65.2 -55.6 17.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.485 1.039 . . . . 0.0 108.856 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.1 m -65.47 -36.55 84.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.249 1.019 . . . . 0.0 112.419 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -57.44 115.79 2.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 122.151 0.977 . . . . 0.0 110.719 -159.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -25.88 68.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.636 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 40.5 mttp -102.97 171.89 7.13 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.134 0.973 . . . . 0.0 110.319 -169.53 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -118.31 -30.67 5.18 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 117.012 -1.47 . . . . 0.0 113.013 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.93 134.23 48.17 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 116.003 -2.279 . . . . 0.0 108.32 164.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.48 103.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 63.1 t -103.29 112.14 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.205 1.802 . . . . 0.0 107.784 -168.627 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.35 106.31 13.5 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.349 0.595 . . . . 0.0 111.135 -165.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.584 ' HB3' ' HA ' ' A' ' 18' ' ' ARG 0.318 1.8 t70 -78.5 138.52 38.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 115.889 -2.005 . . . . 0.0 111.793 -176.043 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.723 HD12 HG21 ' A' ' 54' ' ' VAL . 2.0 mm? -119.6 26.18 9.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -62.26 -32.5 73.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.274 -0.892 . . . . 0.0 112.581 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.99 -8.28 58.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.118 0.872 . . . . 0.0 111.947 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.723 HG21 HD12 ' A' ' 51' ' ' LEU . 38.4 t -92.16 97.07 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -172.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 m -87.08 -15.41 38.6 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -141.77 146.33 35.83 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.85 0.86 . . . . 0.0 109.582 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.414 ' HA ' HG23 ' A' ' 23' ' ' ILE . 12.7 ttt -134.54 135.55 42.41 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 174.263 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -105.83 173.14 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.768 0.668 . . . . 0.0 109.408 167.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -22.75 13.81 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.595 -0.69 . . . . 0.0 112.494 167.633 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.97 89.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.572 1.149 . . . . 0.0 109.012 174.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' HA3' HG12 ' A' ' 23' ' ' ILE . . . -59.73 -47.66 89.86 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 124.991 1.282 . . . . 0.0 112.446 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.18 -55.71 31.16 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 -178.609 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.69 -12.68 28.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 126.773 2.13 . . . . 0.0 114.675 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 32' ' ' LYS . 68.6 m -102.56 -16.93 15.95 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 125.685 1.594 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.41 -51.21 4.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.749 1.22 . . . . 0.0 109.005 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.65 -30.73 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.64 1.109 . . . . 0.0 112.098 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.19 -40.87 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.155 169.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.05 -21.67 25.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 C-N-CA 125.017 1.327 . . . . 0.0 110.263 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -57.88 -41.92 83.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.807 1.64 . . . . 0.0 109.467 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -72.12 -63.45 1.14 Allowed 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.42 -44.95 8.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.761 1.625 . . . . 0.0 112.491 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.1 -63.79 1.04 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.417 1.487 . . . . 0.0 110.316 168.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -45.28 -52.31 9.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.889 1.276 . . . . 0.0 111.309 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.61 -35.12 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 128.036 2.534 . . . . 0.0 109.312 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -105.06 7.98 34.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.574 1.15 . . . . 0.0 112.058 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.1 17.91 68.46 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.632 1.587 . . . . 0.0 113.405 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -98.51 159.95 14.61 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 120.958 -1.319 . . . . 0.0 108.937 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -100.73 -177.33 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.651 1.98 . . . . 0.0 109.438 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -159.56 132.8 7.01 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.662 -1.274 . . . . 0.0 109.434 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.7 152.54 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.195 2.198 . . . . 0.0 105.414 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 51' ' ' LEU . 81.5 mt -114.18 154.15 28.36 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.62 0.768 . . . . 0.0 110.193 168.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -140.12 152.57 46.22 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 120.259 1.39 . . . . 0.0 110.2 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.64 40.8 5.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 165.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.48 169.98 14.26 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 124.523 1.129 . . . . 0.0 110.665 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -103.23 157.89 16.69 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.694 167.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.48 -28.91 68.95 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.085 0.865 . . . . 0.0 109.166 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -62.84 -20.16 64.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.274 1.03 . . . . 0.0 112.405 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.89 -41.77 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.174 1.79 . . . . 0.0 107.733 -166.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.5 m -57.83 -45.84 85.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -59.1 -44.24 91.95 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.864 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -169.06 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.74 -44.67 96.38 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.39 -45.9 90.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 118.901 -2.374 . . . . 0.0 112.707 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -37.16 49.41 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.4 1.88 . . . . 0.0 110.748 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.26 62.3 m -102.96 14.88 30.89 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.041 0.936 . . . . 0.0 112.655 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.42 37.33 28.73 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 127.391 2.276 . . . . 0.0 112.142 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -97.08 -36.19 10.57 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.674 1.99 . . . . 0.0 109.815 -170.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.98 88.56 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.832 ' HE2' HG23 ' A' ' 100' ' ' ILE . 1.1 ptmt -56.52 -19.01 13.51 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.832 HG23 ' HE2' ' A' ' 99' ' ' LYS . 6.5 pt -113.5 -2.23 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 126.088 1.755 . . . . 0.0 111.014 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.51 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.2 m-85 -111.2 -171.58 1.86 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.858 2.863 . . . . 0.0 105.936 173.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -132.94 144.27 50.02 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 163.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.65 125.27 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.7 p -111.44 173.84 6.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.811 1.645 . . . . 0.0 108.4 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -53.2 5.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.6 p -110.87 161.37 15.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.65 1.18 . . . . 0.0 107.909 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.04 -22.9 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 165.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -73.47 -26.96 61.15 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.6 -1.26 55.71 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.186 0.903 . . . . 0.0 111.095 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.439 2.296 . . . . 0.0 110.347 177.612 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' C ' HD23 ' A' ' 6' ' ' LEU . 32.0 tttt . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -133.21 151.7 51.94 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 127.205 2.202 . . . . 0.0 107.376 166.021 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -41.84 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.43 1.092 . . . . 0.0 110.161 -160.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.424 HG12 HG13 ' A' ' 17' ' ' VAL . 43.8 mt 61.64 115.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 129.378 3.071 . . . . 0.0 114.128 166.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.65 95.33 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 126.386 1.874 . . . . 0.0 108.538 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.63 121.09 15.14 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 120.58 -1.325 . . . . 0.0 107.803 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' CD ' ' H ' ' A' ' 12' ' ' ASP . 6.7 tm0? -84.72 -145.32 0.09 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.379 1.471 . . . . 0.0 107.785 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.58 ' H ' ' CD ' ' A' ' 11' ' ' GLN . 10.0 t70 -59.72 -60.21 4.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.249 1.42 . . . . 0.0 108.68 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 22.5 t0 -144.04 1.79 1.14 Allowed 'General case' 0 CA--C 1.54 0.564 0 O-C-N 125.053 1.471 . . . . 0.0 111.657 -173.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -121.39 143.62 49.11 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.755 2.022 . . . . 0.0 107.591 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.85 109.03 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 118.289 -0.862 . . . . 0.0 108.827 -175.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.435 HG22 ' HD2' ' A' ' 18' ' ' ARG . 50.2 mt -83.68 87.16 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.535 ' HB ' HD13 ' A' ' 49' ' ' LEU . 46.8 t -81.52 85.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 169.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.11 127.4 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.249 -1.759 . . . . 0.0 106.249 167.299 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.7 t -101.16 143.32 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 120.607 1.549 . . . . 0.0 106.879 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -112.74 164.81 12.91 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.424 0.69 . . . . 0.0 109.14 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 74.49 136.17 0.4 Allowed Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.509 2.004 . . . . 0.0 115.135 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -42.4 117.07 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 111.531 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 57' ' ' MET . 5.5 tt -82.23 127.32 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 127.612 2.365 . . . . 0.0 108.909 -171.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -168.76 177.07 5.25 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 120.433 -1.417 . . . . 0.0 110.17 -154.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -22.1 8.8 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.927 0.785 . . . . 0.0 112.165 168.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.44 -45.7 82.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 125.212 1.405 . . . . 0.0 112.333 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.4 HD21 HG13 ' A' ' 23' ' ' ILE . 2.6 p-10 -97.98 -5.36 34.33 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 t -50.88 -26.58 6.01 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.799 1.64 . . . . 0.0 112.056 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -121.8 -7.79 8.99 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.237 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -78.99 -75.59 0.23 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 117.7 -1.143 . . . . 0.0 109.928 166.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -42.57 -45.17 4.47 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.901 1.682 . . . . 0.0 112.684 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 64' ' ' THR . 30.5 ttpt -55.84 -47.28 77.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.315 176.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.32 -43.58 70.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.631 0.65 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -63.31 -10.38 16.0 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.948 1.699 . . . . 0.0 112.175 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -117.21 -39.04 3.25 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 114.27 -2.776 . . . . 0.0 110.998 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -61.69 -41.94 98.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 123.757 2.981 . . . . 0.0 110.678 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -73.69 -39.46 64.37 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -71.44 -36.15 71.16 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -57.82 -31.37 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 120.519 1.508 . . . . 0.0 112.314 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -49.44 62.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.145 171.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -56.13 -48.03 77.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.531 1.059 . . . . 0.0 112.279 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.7 t -67.58 127.02 31.18 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 123.519 1.628 . . . . 0.0 109.399 -147.438 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -76.55 -28.21 56.2 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.45 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG3' ' HA ' ' A' ' 13' ' ' ASP . 3.5 mptt -97.88 148.48 23.38 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.311 1.444 . . . . 0.0 109.647 -175.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -94.5 -43.81 8.17 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.907 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 133.31 55.98 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 116.703 -1.617 . . . . 0.0 107.609 168.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 mm -124.21 105.05 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.26 129.83 51.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.086 1.754 . . . . 0.0 107.485 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.5 mm? -118.51 103.08 9.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.339 0.656 . . . . 0.0 109.886 -170.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.449 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 10.2 t0 -77.07 131.89 38.62 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.966 -1.492 . . . . 0.0 108.261 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD23 HD21 ' A' ' 84' ' ' LEU . 2.5 mm? -112.38 14.22 20.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 121.405 1.911 . . . . 0.0 115.324 175.109 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 p -55.48 -29.46 58.8 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 120.684 -1.26 . . . . 0.0 112.844 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -93.13 9.6 35.25 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.331 1.052 . . . . 0.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 15.1 t -113.16 156.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.21 -28.97 0.19 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 119.607 1.094 . . . . 0.0 112.805 176.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -107.14 154.61 20.92 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.442 1.497 . . . . 0.0 108.481 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.421 ' HA ' HG23 ' A' ' 23' ' ' ILE . 10.8 ttt -147.75 121.66 9.37 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.423 1.077 . . . . 0.0 108.96 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -79.46 167.68 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.107 0.879 . . . . 0.0 110.124 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -46.76 -29.46 1.94 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.18 2.192 . . . . 0.0 111.713 161.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.16 76.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.942 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.94 -58.42 9.47 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 126.043 1.783 . . . . 0.0 111.883 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -68.57 -44.82 73.62 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.566 0.746 . . . . 0.0 109.204 -172.573 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.42 60.63 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.53 1.062 . . . . 0.0 112.721 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 32' ' ' LYS . 17.7 m -90.32 -34.5 15.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 108.339 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.27 -37.27 21.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 118.813 0.733 . . . . 0.0 112.512 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.22 -20.55 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 120.423 -1.423 . . . . 0.0 111.856 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -40.45 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.801 0.84 . . . . 0.0 110.643 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.67 -27.8 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.243 1.417 . . . . 0.0 110.341 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -36.79 38.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.249 1.019 . . . . 0.0 110.001 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -82.14 -59.04 2.7 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 115.398 -2.239 . . . . 0.0 110.997 167.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.15 -49.02 4.89 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 122.281 2.309 . . . . 0.0 112.252 -172.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.91 16.11 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.424 1.49 . . . . 0.0 108.533 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -51.88 -37.55 52.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.373 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.5 mt -58.58 -46.12 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.611 1.551 . . . . 0.0 109.585 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -87.21 14.03 8.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.684 1.129 . . . . 0.0 111.665 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.62 46.57 93.99 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.765 -1.019 . . . . 0.0 110.788 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -116.47 149.72 39.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.962 1.305 . . . . 0.0 109.52 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.44 177.74 8.59 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.071 2.549 . . . . 0.0 110.241 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -160.76 122.66 3.09 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.354 1.062 . . . . 0.0 109.184 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.13 154.04 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 127.75 2.42 . . . . 0.0 107.195 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.7 mt -112.42 157.14 21.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.8 p -141.75 149.57 40.62 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.675 2.39 . . . . 0.0 109.989 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 m 66.74 60.66 0.55 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 170.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD21 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -103.2 170.19 8.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.48 -178.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 19.8 mtmm -141.83 153.78 44.73 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -159.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.92 -28.58 69.03 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.01 0.819 . . . . 0.0 109.919 -170.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 m -81.99 0.68 39.04 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.196 0.999 . . . . 0.0 113.143 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -126.54 -40.39 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.133 1.373 . . . . 0.0 109.923 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.1 p -56.77 -46.38 81.5 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -56.56 -47.43 79.49 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.275 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mt -58.24 -48.61 84.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 120.866 1.666 . . . . 0.0 107.192 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.7 -43.39 93.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.55 -56.97 14.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.282 -1.511 . . . . 0.0 111.76 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.3 mt -45.04 -38.43 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 130.109 3.364 . . . . 0.0 111.666 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 m -97.5 8.31 44.86 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 59.52 24.25 12.96 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 127.755 2.422 . . . . 0.0 113.305 -174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -82.24 -36.88 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.513 1.925 . . . . 0.0 111.009 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.62 -35.29 80.03 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.362 -0.836 . . . . 0.0 110.298 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -69.76 -6.84 34.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 175.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 pt -127.75 6.76 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.554 1.542 . . . . 0.0 111.025 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.26 -171.73 2.4 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 128.563 2.745 . . . . 0.0 106.804 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.67 139.39 49.06 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 121.556 -0.715 . . . . 0.0 109.306 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.3 mt -134.71 127.49 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -171.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.6 p -117.8 -174.4 2.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.35 2.26 . . . . 0.0 111.567 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -106.19 -59.37 1.79 Allowed 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.831 2.052 . . . . 0.0 106.049 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.2 p -102.21 151.51 22.13 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 t -59.03 -34.92 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 124.846 1.259 . . . . 0.0 108.505 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.345 0.658 . . . . 0.0 111.785 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.22 -0.44 22.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 112.471 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.828 0 C-N-CA 125.211 1.404 . . . . 0.0 109.581 -178.89 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.5 mtp . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 117.418 -1.277 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -138.43 112.69 8.67 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 120.371 1.442 . . . . 0.0 108.977 -167.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.97 86.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 164.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 20' ' ' GLN . 3.4 tm? 55.35 130.78 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.048 1 C-N-CA 132.662 4.385 . . . . 0.0 116.48 173.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' N ' HD13 ' A' ' 4' ' ' LEU . 15.2 ttpp -164.45 171.36 14.76 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.708 -174.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.68 159.15 28.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.869 2.467 . . . . 0.0 109.039 169.617 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.42 -38.8 5.38 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.997 -1.065 . . . . 0.0 112.042 -175.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mt 56.54 112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 128.966 2.907 . . . . 0.0 114.753 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.8 t -141.43 105.65 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.894 1.677 . . . . 0.0 109.237 -167.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.58 115.56 9.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 -153.64 0.22 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.1 -54.05 17.01 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.102 0.961 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -138.79 6.58 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.894 1.331 . . . . 0.0 112.095 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -120.47 139.48 52.81 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.533 1.933 . . . . 0.0 107.181 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -108.17 107.42 18.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -175.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.6 mt -86.07 94.77 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-O 122.063 0.935 . . . . 0.0 109.345 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.34 86.15 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 15.8 mtm180 -68.45 139.93 55.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 117.907 -1.517 . . . . 0.0 107.623 169.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.12 154.3 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.563 ' O ' HD22 ' A' ' 4' ' ' LEU . 2.8 mt-30 -132.75 135.96 46.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.964 1.706 . . . . 0.0 109.202 173.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.05 156.95 32.26 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.74 162.24 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.684 1.193 . . . . 0.0 110.513 161.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.42 HG22 ' CG1' ' A' ' 54' ' ' VAL . 3.7 tt -118.48 105.87 18.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.646 1.178 . . . . 0.0 110.722 -159.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -142.63 -160.43 1.1 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.352 1.061 . . . . 0.0 113.637 -169.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 28' ' ' SER . . . -49.18 -32.16 9.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.509 2.324 . . . . 0.0 114.449 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -67.34 -45.92 74.96 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.979 1.263 . . . . 0.0 109.559 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -28.75 69.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.805 0.842 . . . . 0.0 109.384 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -60.49 -15.67 29.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.098 1.499 . . . . 0.0 112.284 -172.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -121.66 -28.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 117.142 -1.409 . . . . 0.0 113.974 154.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.7 -71.55 0.1 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.416 1.462 . . . . 0.0 110.794 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.23 -35.77 67.74 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.401 1.001 . . . . 0.0 110.913 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -56.16 -46.87 79.14 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -65.18 -54.04 35.69 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.516 1.526 . . . . 0.0 111.089 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.578 ' CD ' HD21 ' A' ' 6' ' ' LEU . 12.7 mm-40 -65.59 0.2 1.73 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.822 2.049 . . . . 0.0 112.49 -175.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.9 mt -120.32 -52.25 2.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.957 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -56.98 -35.13 68.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 122.428 2.376 . . . . 0.0 110.514 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -77.74 -43.88 29.51 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.53 -44.1 87.94 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.886 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mt -54.71 -25.01 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 120.276 1.398 . . . . 0.0 113.635 171.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -56.29 6.12 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 171.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 m -55.97 -42.63 76.59 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.856 2.062 . . . . 0.0 112.51 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.479 HG21 HD11 ' A' ' 47' ' ' ILE . 14.9 t -59.03 125.44 23.63 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.426 1.108 . . . . 0.0 111.084 -155.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -31.89 68.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.686 1.195 . . . . 0.0 108.612 170.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 1.5 mptp? -99.77 133.22 44.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 118.955 0.798 . . . . 0.0 110.552 -175.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -77.21 -36.0 55.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.433 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -81.04 89.7 5.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.924 1.238 . . . . 0.0 110.076 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 42' ' ' THR . 18.1 mm -80.01 96.3 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -171.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 t -86.08 136.58 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.82 143.77 34.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 19.1 t70 -118.14 119.37 34.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.103 1.361 . . . . 0.0 110.704 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.5 21.59 14.98 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 123.386 0.674 . . . . 0.0 111.394 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 t -58.31 -29.48 65.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.811 1.244 . . . . 0.0 111.628 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -99.07 3.55 46.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.29 1.436 . . . . 0.0 112.164 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 23' ' ' ILE . 40.7 t -91.97 89.71 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -75.11 -24.95 58.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -142.08 155.8 45.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.075 1.75 . . . . 0.0 107.783 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 ttt -140.73 132.46 27.33 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.784 1.634 . . . . 0.0 109.5 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.54 166.38 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.987 1.715 . . . . 0.0 108.836 169.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -26.72 8.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.275 1.03 . . . . 0.0 112.265 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.12 48.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.733 1.613 . . . . 0.0 109.683 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.42 -64.62 1.52 Allowed Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 126.193 1.854 . . . . 0.0 111.474 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -38.36 77.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.984 -159.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.26 -29.87 75.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.154 0.909 . . . . 0.0 111.862 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -81.56 -23.61 37.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.174 0.99 . . . . 0.0 109.073 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -46.37 9.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 119.63 1.105 . . . . 0.0 110.533 176.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.37 -30.05 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 119.326 0.967 . . . . 0.0 113.259 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.55 -30.88 51.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.638 -1.289 . . . . 0.0 111.165 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.43 -18.03 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.66 0.784 . . . . 0.0 110.049 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.14 -39.67 90.94 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 120.341 -1.474 . . . . 0.0 109.964 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -69.57 -55.54 9.84 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 115.994 -1.955 . . . . 0.0 109.293 168.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 74' ' ' ILE . 89.4 m-20 -50.76 -40.8 55.83 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 122.126 2.239 . . . . 0.0 112.925 -173.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.49 46.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.782 -1.199 . . . . 0.0 109.361 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -16.9 52.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.607 1.963 . . . . 0.0 113.471 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ASP . 75.1 mt -71.1 -29.1 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 120.953 1.706 . . . . 0.0 109.031 170.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -113.45 12.11 18.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.833 0.853 . . . . 0.0 112.99 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.46 51.28 57.38 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.314 1.435 . . . . 0.0 111.514 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -107.19 154.75 20.75 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.836 0.855 . . . . 0.0 109.575 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 173.76 8.94 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.874 1.27 . . . . 0.0 108.35 174.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -155.47 124.63 6.22 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.634 -0.667 . . . . 0.0 111.649 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.78 150.52 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.189 1.796 . . . . 0.0 107.159 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.3 mt -113.02 142.37 45.79 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.56 1.544 . . . . 0.0 107.687 170.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.82 164.11 31.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.096 0.474 . . . . 0.0 111.615 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t 60.94 27.07 16.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 113.41 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 103' ' ' ILE . 25.4 mt -62.91 129.66 41.37 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 120.751 -1.218 . . . . 0.0 110.625 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -66.35 151.54 46.9 Favored 'General case' 0 CA--C 1.492 -1.283 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.285 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -66.74 -28.38 68.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.703 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 t -70.05 -8.86 52.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.163 1.385 . . . . 0.0 113.141 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mm -120.97 -38.44 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 126.156 1.783 . . . . 0.0 108.63 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 m -54.87 -52.91 61.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.9 0.857 . . . . 0.0 108.857 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.27 -37.95 65.3 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.78 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -51.55 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.57 -50.59 71.46 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -56.76 -50.91 70.84 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.953 -1.092 . . . . 0.0 111.834 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 mt -54.05 -53.7 49.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.727 1.611 . . . . 0.0 109.937 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -80.51 18.85 0.86 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.425 1.09 . . . . 0.0 112.118 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 55.37 19.34 3.01 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 127.856 2.462 . . . . 0.0 115.297 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -76.83 -38.47 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.858 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -46.85 88.58 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.126 0.57 . . . . 0.0 109.703 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HE3' HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -57.58 -13.4 3.77 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 176.587 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' A' ' 99' ' ' LYS . 10.1 pt -125.57 9.75 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.253 1.821 . . . . 0.0 111.398 -174.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.1 m-85 -120.98 -158.09 0.74 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.008 2.123 . . . . 0.0 108.293 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -141.07 133.18 27.88 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 124.935 1.294 . . . . 0.0 108.268 169.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.464 HG23 HD12 ' A' ' 84' ' ' LEU . 4.0 mp -127.75 133.4 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 O-C-N 124.816 1.322 . . . . 0.0 109.257 -176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -133.28 -176.44 4.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.193 1.797 . . . . 0.0 111.195 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.13 -34.93 6.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.936 1.294 . . . . 0.0 111.392 -161.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 49.8 p -128.85 153.27 47.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.144 1.778 . . . . 0.0 106.55 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.16 -22.7 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.489 -1.382 . . . . 0.0 110.692 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.82 -32.11 73.17 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.234 -0.916 . . . . 0.0 112.717 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -2.57 56.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.541 1.064 . . . . 0.0 112.457 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.905 1.682 . . . . 0.0 109.366 172.695 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -121.5 170.01 10.09 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.278 1.031 . . . . 0.0 108.742 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -126.52 40.24 3.77 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 27' ' ' ASN . 15.2 tp -63.36 115.88 5.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.996 1.718 . . . . 0.0 110.858 -171.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 164.57 -179.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.443 3.097 . . . . 0.0 108.151 -176.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -125.15 165.03 18.98 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 125.875 1.67 . . . . 0.0 108.263 173.307 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -119.59 -39.28 2.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.15 1.38 . . . . 0.0 109.943 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.5 mt 64.35 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 130.38 3.472 . . . . 0.0 114.371 167.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.96 83.18 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 127.586 2.355 . . . . 0.0 106.979 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.89 110.27 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 120.33 -1.481 . . . . 0.0 108.528 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -148.64 0.05 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -80.9 -52.68 7.19 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.28 -1.513 . . . . 0.0 110.986 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.75 -5.12 5.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.974 1.31 . . . . 0.0 112.738 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -113.32 124.57 52.78 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.255 1.822 . . . . 0.0 107.315 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -89.6 99.08 12.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.95 125.67 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.49 HG11 HD22 ' A' ' 6' ' ' LEU . 84.6 t -111.11 93.63 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 168.473 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.79 120.02 6.69 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 162.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.95 161.29 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 170.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -135.79 145.22 46.29 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.378 1.471 . . . . 0.0 109.591 163.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.52 153.35 29.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 125.202 1.382 . . . . 0.0 110.32 170.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.66 165.44 1.65 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 122.06 0.933 . . . . 0.0 110.071 156.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -130.67 134.13 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.168 0.987 . . . . 0.0 108.658 -167.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -160.39 -173.75 4.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -167.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -19.46 61.49 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.396 1.478 . . . . 0.0 113.708 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.35 -14.98 39.26 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 119.973 1.261 . . . . 0.0 109.774 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.499 ' HB2' HD21 ' A' ' 4' ' ' LEU . 17.2 t-20 -112.14 -14.0 13.46 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.68 1.592 . . . . 0.0 111.189 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -64.43 -4.96 4.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -116.18 -24.44 8.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.403 1.001 . . . . 0.0 111.133 160.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.63 -71.93 0.16 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.085 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.4 tp -51.5 -41.4 60.94 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.009 1.277 . . . . 0.0 110.702 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HA ' HD11 ' A' ' 68' ' ' ILE . 28.9 ttpt -54.82 -50.01 69.63 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.984 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.68 -49.23 78.56 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.555 1.142 . . . . 0.0 112.174 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.506 ' HB3' HD11 ' A' ' 6' ' ' LEU . 3.7 mm-40 -58.31 -16.0 12.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.781 1.632 . . . . 0.0 110.907 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.95 -45.26 2.98 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-O 114.428 -2.701 . . . . 0.0 112.235 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -41.68 64.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 123.974 3.079 . . . . 0.0 110.402 171.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -75.11 -34.9 61.75 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -171.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -73.8 -43.64 58.25 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.318 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' A' ' 42' ' ' THR . 7.1 mt -53.07 -40.02 35.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 120.016 1.28 . . . . 0.0 111.464 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.4 t -53.42 -55.78 22.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.52 1.528 . . . . 0.0 109.244 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.5 m -57.81 -54.62 44.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.326 1.451 . . . . 0.0 112.25 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 39' ' ' ILE 0.251 9.9 t -64.85 136.89 57.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 122.952 1.358 . . . . 0.0 113.618 -136.03 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 m -78.99 -1.4 35.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.904 1.682 . . . . 0.0 113.003 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.665 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 1.1 mptp? -119.47 161.37 20.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.873 -1.142 . . . . 0.0 109.353 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -49.83 3.7 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.995 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HE3' ' CD1' ' A' ' 80' ' ' ILE . 4.6 tttp -74.0 94.07 2.31 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 117.604 -1.188 . . . . 0.0 110.598 -172.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.6 mm -83.78 110.38 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.38 116.42 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.01 1.724 . . . . 0.0 109.74 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 109.31 14.51 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -164.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -91.14 118.69 30.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 127.424 2.289 . . . . 0.0 110.143 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD21 HD22 ' A' ' 81' ' ' LEU . 1.1 mm? -107.5 23.73 14.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.728 1.604 . . . . 0.0 113.3 -170.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.0 p -58.1 -26.01 62.05 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -86.26 -7.09 58.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.854 1.262 . . . . 0.0 112.045 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -93.11 79.4 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -164.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -72.69 -18.49 61.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.751 1.62 . . . . 0.0 113.509 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -145.38 156.6 43.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.536 1.535 . . . . 0.0 107.426 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttt -143.85 139.61 29.36 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.38 171.81 7.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.144 1.378 . . . . 0.0 108.904 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 m -55.88 -16.55 4.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.019 0.928 . . . . 0.0 113.334 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.78 39.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.895 0.878 . . . . 0.0 111.835 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.62 -49.7 23.22 Favored Glycine 0 C--O 1.224 -0.49 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -169.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -61.18 -45.87 92.83 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.456 1.502 . . . . 0.0 109.958 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.7 47.62 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.673 1.606 . . . . 0.0 114.021 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.2 m -100.41 -47.05 5.04 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.568 2.347 . . . . 0.0 107.283 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 mt -57.58 -46.44 83.98 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 120.262 1.392 . . . . 0.0 110.195 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.71 -25.88 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.6 -47.49 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.2 1.0 . . . . 0.0 108.764 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 32' ' ' LYS . 35.9 mm -67.54 -35.63 73.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.159 -169.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -39.97 68.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.071 1.305 . . . . 0.0 110.558 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -63.15 -64.84 0.79 Allowed 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.76 -46.32 2.64 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.859 2.064 . . . . 0.0 112.955 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.12 -63.63 1.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.455 1.902 . . . . 0.0 108.478 173.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -43.54 65.93 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.584 1.154 . . . . 0.0 112.28 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.2 mt -55.05 -27.99 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 126.176 1.791 . . . . 0.0 109.833 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -113.44 19.61 16.78 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.33 30.46 58.6 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.628 1.109 . . . . 0.0 113.364 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -115.4 172.44 7.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.119 1.459 . . . . 0.0 109.191 -172.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -128.31 170.95 12.47 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.855 2.062 . . . . 0.0 108.812 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -150.43 130.59 13.57 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.362 0.983 . . . . 0.0 111.714 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.623 HG23 ' HG2' ' A' ' 102' ' ' LYS . 36.4 mt -144.07 145.3 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.684 1.594 . . . . 0.0 107.067 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 51' ' ' LEU . 95.7 mt -109.24 148.81 30.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.891 1.676 . . . . 0.0 108.827 171.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 p -139.72 160.83 38.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.82 1.248 . . . . 0.0 110.276 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.5 33.59 19.21 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.014 -1.054 . . . . 0.0 113.303 171.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 103' ' ' ILE . 6.4 mt -68.93 138.67 54.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.405 -0.81 . . . . 0.0 109.742 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -69.34 147.32 51.27 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.09 -39.16 71.7 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.115 0.884 . . . . 0.0 109.62 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 m -71.04 -17.82 62.6 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.68 -35.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 m -57.93 -49.54 76.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.284 -0.885 . . . . 0.0 109.304 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.58 -36.38 69.28 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.483 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.1 -51.62 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 -172.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.95 -51.62 68.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -53.48 -49.28 67.8 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.719 0.808 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.44 -58.32 8.22 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 126.802 2.041 . . . . 0.0 111.492 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.8 m -73.27 3.39 5.84 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 76.1 32.34 0.62 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 128.797 2.839 . . . . 0.0 111.436 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mp -85.86 -41.21 15.19 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.872 1.269 . . . . 0.0 111.594 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -33.38 75.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.044 1.293 . . . . 0.0 109.903 -168.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -24.82 66.65 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 171.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.68 3.87 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 120.268 1.394 . . . . 0.0 111.562 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.11 -166.86 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.419 2.288 . . . . 0.0 106.378 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.623 ' HG2' HG23 ' A' ' 80' ' ' ILE . 15.3 tttt -137.53 134.49 35.74 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.261 1.424 . . . . 0.0 107.617 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 84' ' ' LEU . 4.0 mp -132.74 130.74 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 125.411 1.484 . . . . 0.0 108.716 -170.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.468 HG21 ' HA ' ' A' ' 110' ' ' ALA . 65.5 p -131.96 176.53 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.645 1.178 . . . . 0.0 111.435 171.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.34 -55.37 4.36 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.7 p -113.41 167.05 10.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.222 1.009 . . . . 0.0 108.333 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.12 -20.4 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.705 167.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.53 -56.6 18.24 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.521 1.128 . . . . 0.0 109.672 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -9.27 52.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.468 ' HA ' HG21 ' A' ' 104' ' ' THR . . . . . . . . 0 C--O 1.253 1.254 0 C-N-CA 128.849 2.86 . . . . 0.0 112.283 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtt . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -135.99 165.61 25.26 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 161.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -151.48 100.05 2.68 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 103.013 -2.958 . . . . 0.0 103.013 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.5 tp -78.71 96.43 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.449 -0.782 . . . . 0.0 111.032 -165.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.0 -160.84 0.83 Allowed 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 123.132 1.444 . . . . 0.0 112.529 -170.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.43 144.4 51.37 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 128.928 2.891 . . . . 0.0 105.494 165.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.26 -42.67 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.007 1.323 . . . . 0.0 109.555 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt 60.06 123.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 129.082 2.953 . . . . 0.0 114.201 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.63 80.63 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 127.221 2.208 . . . . 0.0 106.325 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -57.88 119.07 6.06 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -103.87 -162.71 0.92 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.939 1.696 . . . . 0.0 109.55 -176.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -59.63 -52.7 64.39 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.232 0.613 . . . . 0.0 110.506 -159.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.88 9.52 3.58 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.808 1.243 . . . . 0.0 110.587 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -132.69 133.23 43.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.533 1.533 . . . . 0.0 109.041 -168.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -92.2 111.47 23.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.68 99.03 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.19 93.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 163.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -69.89 116.22 10.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 116.63 -2.028 . . . . 0.0 106.143 162.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.579 HG11 ' CG2' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -65.43 166.48 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 171.557 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 40.9 mt-30 -133.89 136.7 44.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.877 0.871 . . . . 0.0 109.621 155.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 142.03 12.73 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.928 1.252 . . . . 0.0 114.406 164.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -54.46 136.18 44.65 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 127.613 2.365 . . . . 0.0 110.014 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG23 ' HA ' ' A' ' 57' ' ' MET . 10.1 tt -96.19 115.82 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.644 0.735 . . . . 0.0 109.146 -169.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -134.46 -162.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 110.154 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.33 73.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.306 1.442 . . . . 0.0 113.422 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -63.39 -45.43 91.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 120.141 1.337 . . . . 0.0 107.77 172.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -78.44 -16.02 58.02 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -65.49 -18.13 65.08 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 123.796 0.838 . . . . 0.0 110.79 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -116.05 -22.91 8.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.63 166.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.31 -67.29 0.48 Allowed 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.35 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -47.77 -44.58 28.42 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 121.088 1.767 . . . . 0.0 110.843 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HB2' HG23 ' A' ' 64' ' ' THR . 20.6 ttmt -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.993 1.317 . . . . 0.0 108.811 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.11 -55.37 33.25 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 126.252 1.821 . . . . 0.0 111.645 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -57.29 -27.3 62.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.689 1.196 . . . . 0.0 109.47 -171.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.84 -47.84 7.38 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-O 114.399 -2.715 . . . . 0.0 111.689 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.68 -33.31 72.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 124.106 3.139 . . . . 0.0 111.678 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -66.16 -48.55 70.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.13 -47.32 86.76 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.213 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.18 -31.15 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.65 1.18 . . . . 0.0 111.555 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -57.47 11.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.995 1.318 . . . . 0.0 108.782 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -65.98 -35.3 80.22 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.083 1.753 . . . . 0.0 114.067 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 t -63.77 124.97 22.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 123.475 1.607 . . . . 0.0 111.598 -152.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -81.03 3.98 21.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 113.99 -1.459 . . . . 0.0 112.065 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 62.5 mmtt -128.8 142.78 50.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 126.937 2.095 . . . . 0.0 108.63 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -89.73 -41.32 11.96 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.89 -173.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -57.41 128.1 35.34 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 116.749 -1.596 . . . . 0.0 109.444 169.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -117.47 103.19 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.89 132.34 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.07 103.65 10.45 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 124.032 0.933 . . . . 0.0 110.491 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.523 ' O ' HG12 ' A' ' 19' ' ' VAL . 23.4 t0 -75.34 120.89 21.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.467 -1.73 . . . . 0.0 108.802 174.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.878 HD21 HD22 ' A' ' 81' ' ' LEU . 1.6 mm? -103.1 19.44 19.54 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 122.125 2.239 . . . . 0.0 113.176 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t -55.24 -31.94 61.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.962 -0.461 . . . . 0.0 111.637 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 1.1 t -87.16 2.79 48.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 112.383 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.579 ' CG2' HG11 ' A' ' 19' ' ' VAL . 2.6 t -119.4 90.76 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -87.57 -20.14 26.85 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.662 1.985 . . . . 0.0 114.741 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -124.31 166.29 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.005 2.122 . . . . 0.0 107.99 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.427 ' HA ' HG23 ' A' ' 23' ' ' ILE . 9.9 ttt -160.85 140.11 10.51 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.74 169.86 9.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.736 0.814 . . . . 0.0 110.401 172.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.8 m -56.57 -17.89 10.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.292 1.037 . . . . 0.0 112.462 167.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.99 69.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.779 1.172 . . . . 0.0 109.246 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' O ' HD23 ' A' ' 65' ' ' LEU . . . -51.66 -53.36 29.53 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 126.258 1.885 . . . . 0.0 110.532 -176.417 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -35.06 76.36 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 118.285 -2.891 . . . . 0.0 110.879 -168.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.47 -26.07 69.26 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.362 0.982 . . . . 0.0 112.882 169.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.506 HG23 ' HB2' ' A' ' 32' ' ' LYS . 12.2 m -69.27 -54.76 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 106.543 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 61' ' ' GLY . 1.7 mm? -63.39 -45.17 92.31 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.929 1.292 . . . . 0.0 109.832 -171.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -71.34 -15.92 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 120.957 -1.089 . . . . 0.0 113.773 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -34.89 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.616 -0.678 . . . . 0.0 110.972 167.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.14 -31.7 55.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 123.575 0.75 . . . . 0.0 109.961 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -10.7 53.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.48 -1.388 . . . . 0.0 112.165 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -90.13 -72.85 0.54 Allowed 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 167.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.56 -41.31 2.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.863 1.665 . . . . 0.0 114.575 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.74 -59.88 3.45 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 126.65 1.98 . . . . 0.0 109.524 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -45.39 35.79 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.648 1.579 . . . . 0.0 111.012 174.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.49 -29.88 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.733 2.013 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.84 12.57 32.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.985 1.314 . . . . 0.0 112.47 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.78 39.94 65.31 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.884 1.23 . . . . 0.0 112.358 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.22 159.69 26.77 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.366 1.083 . . . . 0.0 111.855 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.05 -176.21 6.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 127.453 2.301 . . . . 0.0 110.361 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -167.8 124.98 1.14 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.901 1.68 . . . . 0.0 109.277 171.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.5 mt -142.75 148.88 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 129.097 2.959 . . . . 0.0 105.528 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 HD21 ' A' ' 51' ' ' LEU . 51.4 mt -116.79 142.36 47.02 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.196 0.999 . . . . 0.0 108.965 172.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.3 167.76 21.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.018 0.527 . . . . 0.0 111.638 172.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 58.07 31.11 20.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.805 2.042 . . . . 0.0 112.746 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.543 ' HG ' HD23 ' A' ' 51' ' ' LEU . 12.0 mt -66.43 128.42 36.11 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.15 -0.969 . . . . 0.0 110.921 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -71.67 146.61 48.14 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.702 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -68.09 -20.31 64.93 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.844 -171.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 -0.79 51.4 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.952 173.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -117.98 -37.21 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 126.437 1.895 . . . . 0.0 108.251 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -57.07 -48.23 79.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -54.54 -37.3 65.25 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 112.59 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -48.84 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -171.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -55.2 -51.19 67.36 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -55.89 -50.45 70.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.944 0.898 . . . . 0.0 111.237 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.6 mt -50.82 -45.26 59.38 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.09 2.156 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -99.1 27.58 4.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.221 1.408 . . . . 0.0 110.664 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 54.42 26.16 6.79 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 129.103 2.961 . . . . 0.0 115.902 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.06 -39.26 14.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 124.404 1.082 . . . . 0.0 112.878 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.03 -37.36 86.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.502 1.046 . . . . 0.0 109.847 -174.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.554 ' HE2' HG23 ' A' ' 100' ' ' ILE . 4.8 ptmt -60.4 -7.12 1.85 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.539 -1.696 . . . . 0.0 114.45 172.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.554 HG23 ' HE2' ' A' ' 99' ' ' LYS . 21.5 pt -139.14 -9.34 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.715 2.052 . . . . 0.0 113.564 -173.249 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -98.8 -177.57 3.69 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.805 1.642 . . . . 0.0 108.409 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.6 118.55 33.43 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.506 -0.746 . . . . 0.0 110.97 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 84' ' ' LEU . 5.2 mp -126.67 129.44 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 109.598 -173.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 175.59 8.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.803 1.641 . . . . 0.0 109.704 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.31 -64.03 1.18 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 p -103.24 146.44 28.43 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.81 -32.13 42.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.483 -0.761 . . . . 0.0 109.664 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.29 -36.28 68.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.084 0.954 . . . . 0.0 112.36 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.13 -1.27 31.75 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.649 -178.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 120.719 0.295 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -163.78 175.33 10.6 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.557 1.943 . . . . 0.0 106.927 164.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -150.28 88.52 1.52 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 155.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 tp -155.11 112.42 3.34 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -165.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -170.94 160.07 6.45 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 109.03 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.873 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.29 152.59 18.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 172.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -23.35 7.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.781 0.832 . . . . 0.0 111.931 -162.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mt 42.22 110.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 130.525 3.53 . . . . 0.0 114.837 163.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -135.69 95.93 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 126.812 2.045 . . . . 0.0 107.551 -170.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.88 116.79 13.8 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.262 -1.523 . . . . 0.0 108.351 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -151.4 0.19 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.014 1.325 . . . . 0.0 108.971 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.98 -57.32 8.07 Favored 'General case' 0 CA--C 1.517 -0.315 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -172.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -139.07 10.14 2.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 123.598 1.666 . . . . 0.0 113.214 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -120.79 136.57 54.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 129.368 3.067 . . . . 0.0 107.201 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 115.55 28.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.964 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -82.85 92.88 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.5 t -79.21 89.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 166.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -67.65 133.16 48.87 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 165.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -98.06 159.25 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 173.458 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -132.74 145.06 50.71 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 125.147 1.379 . . . . 0.0 108.441 165.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.87 149.7 26.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 126.437 1.97 . . . . 0.0 110.166 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.8 159.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 110.164 147.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' CG1' ' A' ' 54' ' ' VAL . 5.6 tt -122.91 118.06 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 C-N-CA 127.767 2.427 . . . . 0.0 107.324 -172.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -136.3 -175.99 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.049 -1.032 . . . . 0.0 112.862 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.33 -31.09 68.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.813 1.645 . . . . 0.0 113.483 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -76.43 -34.45 58.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.689 1.132 . . . . 0.0 109.918 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -80.76 -10.1 59.75 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.657 1.183 . . . . 0.0 108.347 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 5.6 t -68.02 -6.12 20.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 126.862 2.065 . . . . 0.0 113.008 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -111.51 -25.04 9.79 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 119.596 1.089 . . . . 0.0 110.78 163.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.75 -67.49 0.55 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.983 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -49.74 -44.85 48.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.64 2.018 . . . . 0.0 111.12 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE2' ' HA ' ' A' ' 64' ' ' THR . 29.6 ttmt -50.85 -55.73 15.59 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.087 0.867 . . . . 0.0 110.27 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 36' ' ' ARG . 3.7 pt-20 -63.38 -43.29 98.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HB3' HD21 ' A' ' 6' ' ' LEU . 3.6 mm100 -64.52 -24.57 67.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.205 0.602 . . . . 0.0 110.118 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.59 -44.41 11.26 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-O 114.478 -2.677 . . . . 0.0 111.71 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.02 -36.71 75.44 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 125.213 3.642 . . . . 0.0 110.631 174.387 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -67.34 -43.52 81.36 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -76.73 -44.09 34.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.085 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.3 mp -49.58 -37.29 11.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 120.672 1.578 . . . . 0.0 111.366 168.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -14.12 60.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.068 1.304 . . . . 0.0 112.816 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -84.76 -53.82 5.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 120.303 1.41 . . . . 0.0 110.107 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.501 HG21 HD11 ' A' ' 47' ' ' ILE . 8.8 t -51.23 113.42 0.93 Allowed 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.775 2.03 . . . . 0.0 111.135 -141.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 t -62.12 -35.46 78.79 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.123 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.73 144.37 25.58 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.445 -0.784 . . . . 0.0 110.11 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -78.33 -42.47 30.52 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 117.768 -1.111 . . . . 0.0 113.119 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 2.1 ttpm? -81.57 92.69 6.57 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 117.437 -1.268 . . . . 0.0 110.745 -164.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 42' ' ' THR . 12.8 mm -85.24 103.3 12.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -171.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -94.76 138.1 21.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.59 111.03 19.31 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 110.144 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 83' ' ' SER . 9.9 t0 -90.61 114.41 26.66 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.182 -1.389 . . . . 0.0 109.391 -173.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.597 HD12 HD11 ' A' ' 84' ' ' LEU . 22.3 mt -107.85 24.35 13.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 120.634 1.561 . . . . 0.0 113.31 -166.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -64.35 -19.69 65.63 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.888 1.675 . . . . 0.0 113.145 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 m -105.38 -5.47 20.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.736 1.614 . . . . 0.0 111.037 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG2' HG11 ' A' ' 19' ' ' VAL . 42.6 t -82.26 101.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -92.73 -28.1 16.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -173.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -135.98 152.81 51.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.97 1.308 . . . . 0.0 107.626 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 ttt -147.88 132.57 17.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.01 1.724 . . . . 0.0 108.173 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.28 -179.3 4.32 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.315 0.646 . . . . 0.0 109.535 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -66.24 -6.89 15.29 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.968 -1.082 . . . . 0.0 112.827 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.74 82.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.645 0.778 . . . . 0.0 109.653 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.3 -35.17 77.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 125.268 1.413 . . . . 0.0 110.95 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.02 -58.73 7.29 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.78 -5.49 13.75 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.418 2.437 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.438 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.1 m -96.59 -16.56 20.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.43 -1.041 . . . . 0.0 110.563 174.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -118.08 -43.32 2.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.737 1.215 . . . . 0.0 110.72 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.6 -27.91 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 123.48 0.712 . . . . 0.0 110.264 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -43.18 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.638 0.775 . . . . 0.0 110.241 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mm -67.39 -22.23 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 124.116 0.966 . . . . 0.0 110.339 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.37 -39.59 70.28 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 119.171 0.896 . . . . 0.0 110.618 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -71.13 -63.95 1.0 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.468 170.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.43 -44.99 12.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.7 1.136 . . . . 0.0 113.607 -171.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.5 44.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.818 1.647 . . . . 0.0 110.781 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -43.09 59.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.503 1.121 . . . . 0.0 111.364 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.4 mt -54.69 -47.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 119.095 0.862 . . . . 0.0 109.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -86.03 -0.75 56.33 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.474 0.654 . . . . 0.0 111.531 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.02 41.17 72.06 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.201 1.381 . . . . 0.0 111.182 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -112.04 152.94 27.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.043 0.921 . . . . 0.0 109.207 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 46' ' ' LYS . 3.9 tp10 -83.06 -179.85 7.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.649 1.179 . . . . 0.0 109.514 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -157.82 128.63 6.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.182 -0.949 . . . . 0.0 110.907 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.467 HG23 ' HG2' ' A' ' 102' ' ' LYS . 75.5 mt -145.57 156.14 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 128.25 2.62 . . . . 0.0 105.545 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 51' ' ' LEU . 55.2 mt -117.77 148.44 42.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 168.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.55 163.43 32.86 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.838 0.855 . . . . 0.0 110.595 171.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.414 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 0.2 OUTLIER 60.16 64.11 1.3 Allowed 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.8 1.64 . . . . 0.0 114.64 173.197 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD11 HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -91.77 149.54 21.55 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.293 -0.879 . . . . 0.0 110.359 -175.104 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -79.64 154.31 28.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.23 -31.66 71.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.319 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.0 m -76.74 -19.16 57.97 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.577 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mm -97.74 -38.33 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -46.26 90.96 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -56.76 -38.64 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.554 -1.341 . . . . 0.0 112.15 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.77 -46.69 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -173.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.44 -44.21 96.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -58.61 -53.64 56.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.562 1.074 . . . . 0.0 111.187 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -49.33 -57.03 7.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 127.295 2.238 . . . . 0.0 109.992 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.11 16.26 2.47 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.961 0.904 . . . . 0.0 112.367 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.45 4.58 0.52 Allowed 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 129.494 3.117 . . . . 0.0 114.724 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.64 -35.94 71.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.065 1.302 . . . . 0.0 112.254 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.7 -22.51 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.454 0.57 . . . . 0.0 111.677 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.58 2.09 46.41 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.533 172.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 pt -131.01 -25.11 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.449 1.477 . . . . 0.0 111.866 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -82.45 -175.12 5.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.862 2.065 . . . . 0.0 109.43 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HG2' HG23 ' A' ' 80' ' ' ILE . 30.7 tttt -125.85 128.02 46.98 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 124.666 1.187 . . . . 0.0 107.81 171.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.29 115.66 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 125.047 1.467 . . . . 0.0 107.868 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.65 178.52 4.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.312 1.845 . . . . 0.0 110.389 176.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.02 -42.96 8.0 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 120.707 -1.246 . . . . 0.0 111.121 -169.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 p -121.14 152.25 38.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.08 -15.78 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 121.545 -0.722 . . . . 0.0 111.373 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.08 -35.05 56.85 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.157 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -28.84 65.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 120.127 1.331 . . . . 0.0 110.807 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.507 1.523 . . . . 0.0 110.27 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -151.51 141.37 21.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -175.54 57.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.645 2.378 . . . . 0.0 105.471 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 30' ' ' GLU 0.292 0.1 OUTLIER 62.67 126.91 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.745 2.018 . . . . 0.0 112.62 -173.309 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -153.75 172.79 16.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.858 1.663 . . . . 0.0 108.243 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.61 159.99 19.81 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -38.73 5.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 124.15 0.98 . . . . 0.0 110.99 -165.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 77.6 mt 62.26 116.52 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 127.116 2.166 . . . . 0.0 113.522 165.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.22 91.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 125.89 1.676 . . . . 0.0 107.067 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.65 115.73 7.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.494 -1.379 . . . . 0.0 109.562 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -158.95 0.18 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 4.3 m-20 -63.6 -59.68 4.3 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.301 1.84 . . . . 0.0 111.026 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -135.04 3.65 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 0.0 111.956 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -115.26 135.45 54.14 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 120.552 -1.342 . . . . 0.0 109.664 166.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 110.35 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 117.971 -1.014 . . . . 0.0 108.496 170.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.7 92.68 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 119.466 1.03 . . . . 0.0 108.513 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG11 HD21 ' A' ' 35' ' ' LEU . 47.3 t -86.69 90.38 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 123.549 1.642 . . . . 0.0 108.146 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 31.5 mtm180 -73.36 120.07 18.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.038 175.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.04 154.76 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -129.74 127.25 40.04 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.703 1.601 . . . . 0.0 109.94 159.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 169.65 14.02 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 107.83 -2.108 . . . . 0.0 107.83 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -69.81 -169.96 0.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 129.736 3.214 . . . . 0.0 109.309 166.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.515 HD13 HD13 ' A' ' 31' ' ' LEU . 4.9 tp -145.03 96.85 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 120.224 -1.548 . . . . 0.0 110.963 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -133.9 -175.52 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.999 1.32 . . . . 0.0 112.04 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.81 10.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.825 2.05 . . . . 0.0 114.89 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -87.95 -33.11 18.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.896 1.225 . . . . 0.0 109.8 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.05 -15.87 49.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 -2.1 0.21 Allowed 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 170.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -120.19 -35.37 3.47 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.647 -1.168 . . . . 0.0 112.191 156.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 2.0 tp10 -63.94 -58.37 6.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.487 1.039 . . . . 0.0 109.898 -172.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 31' ' ' LEU . 6.3 tt -55.06 -50.73 68.4 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.261 0.937 . . . . 0.0 108.509 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -52.65 -42.24 64.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.447 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -76.12 -39.63 54.7 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.363 0.665 . . . . 0.0 110.604 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.17 -43.91 61.4 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD21 HG11 ' A' ' 17' ' ' VAL . 88.5 mt -84.96 -46.79 10.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 115.862 -2.018 . . . . 0.0 113.086 -172.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -31.37 61.87 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.982 2.628 . . . . 0.0 110.886 175.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -72.76 -53.45 11.57 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.403 1.081 . . . . 0.0 109.382 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -69.55 -41.42 75.92 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.742 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -45.27 -35.27 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.696 1.134 . . . . 0.0 113.124 170.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -46.55 56.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.672 1.124 . . . . 0.0 110.56 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -39.82 92.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.629 -0.701 . . . . 0.0 111.878 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -65.27 134.43 53.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 119.331 -0.947 . . . . 0.0 112.022 -154.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.69 4.99 26.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 128.299 2.64 . . . . 0.0 112.194 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 12' ' ' ASP . 3.4 mptt -126.92 155.14 43.53 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 120.468 1.485 . . . . 0.0 108.431 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -86.85 -42.48 13.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.399 -1.728 . . . . 0.0 110.009 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -79.75 86.78 5.29 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.942 1.246 . . . . 0.0 111.957 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.83 93.53 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.5 t -83.72 147.62 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.25 150.53 36.04 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.4 t0 -123.0 118.51 27.95 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -115.31 20.8 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.019 1.327 . . . . 0.0 111.212 -168.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -26.24 64.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 126.715 2.006 . . . . 0.0 112.863 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -89.06 -6.55 57.03 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.193 1.397 . . . . 0.0 113.033 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -89.66 103.03 13.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -30.99 22.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.742 1.217 . . . . 0.0 111.361 173.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -135.49 150.24 49.74 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 126.025 1.73 . . . . 0.0 109.603 -173.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.442 ' HG3' HG23 ' A' ' 23' ' ' ILE . 8.2 ttm -139.04 129.45 25.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.348 1.059 . . . . 0.0 108.572 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.92 160.87 23.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.2 m -57.06 2.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 115.258 167.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.78 -10.6 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 120.288 1.404 . . . . 0.0 113.655 167.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -51.54 -61.02 6.71 Favored Glycine 0 C--O 1.204 -1.74 0 CA-C-O 123.957 1.865 . . . . 0.0 109.381 170.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.695 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -52.14 -38.04 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 118.445 -2.797 . . . . 0.0 114.108 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 62' ' ' LEU . . . -71.09 -19.12 77.0 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 24.2 m -72.93 -51.18 19.48 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.226 2.21 . . . . 0.0 107.296 168.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 81' ' ' LEU . 2.6 mm? -66.3 -49.95 65.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 123.597 0.759 . . . . 0.0 111.748 -173.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -24.83 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 119.386 0.994 . . . . 0.0 113.432 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.517 1.127 . . . . 0.0 108.673 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -62.66 -32.36 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.48 -40.61 62.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.829 1.195 . . . . 0.0 110.299 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -73.14 -64.25 1.01 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 116.981 -1.485 . . . . 0.0 108.657 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.0 -45.83 0.93 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.721 1.601 . . . . 0.0 112.649 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.94 4.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.081 1.752 . . . . 0.0 110.57 172.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.05 51.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.753 1.621 . . . . 0.0 112.575 175.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.5 mt -56.7 -46.92 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.851 1.26 . . . . 0.0 108.224 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -93.13 10.32 32.18 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.053 1.341 . . . . 0.0 111.72 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.92 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.729 1.157 . . . . 0.0 113.541 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -103.93 167.29 9.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.071 0.935 . . . . 0.0 109.651 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.7 169.51 8.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.453 2.301 . . . . 0.0 109.43 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -151.5 132.53 14.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.336 -0.852 . . . . 0.0 110.372 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -148.57 150.49 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.798 2.039 . . . . 0.0 107.829 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 65' ' ' LEU . 66.6 mt -117.17 130.85 56.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.45 1.5 . . . . 0.0 108.262 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.46 160.75 34.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.012 0.525 . . . . 0.0 110.884 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.86 28.07 15.51 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.294 1.437 . . . . 0.0 113.714 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 103' ' ' ILE . 19.5 mt -61.62 133.69 55.92 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 120.623 -1.298 . . . . 0.0 108.499 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -72.52 159.98 33.04 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-O 121.538 0.685 . . . . 0.0 109.265 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.23 -31.37 67.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.241 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -80.36 -12.9 59.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.893 0.877 . . . . 0.0 112.616 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.75 -36.47 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.971 1.308 . . . . 0.0 108.346 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.9 m -59.41 -49.0 79.49 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -53.75 -36.14 62.03 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.466 -0.772 . . . . 0.0 112.69 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.24 -49.4 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -172.119 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.1 -45.43 90.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -60.02 -47.72 84.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.142 -1.599 . . . . 0.0 111.823 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.88 -63.12 1.24 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.447 1.899 . . . . 0.0 108.109 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.44 19.99 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.962 1.305 . . . . 0.0 113.404 -178.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.75 30.07 8.39 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.755 2.422 . . . . 0.0 114.299 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -30.6 22.72 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 127.462 2.305 . . . . 0.0 110.773 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -49.67 71.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.066 0.848 . . . . 0.0 108.842 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 4.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.187 1.795 . . . . 0.0 115.744 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 pt -139.26 5.98 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 126.979 2.112 . . . . 0.0 111.463 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.32 -161.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.106 3.363 . . . . 0.0 109.736 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -140.81 126.15 18.71 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.533 1.933 . . . . 0.0 111.789 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.442 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -130.49 115.04 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 125.596 1.558 . . . . 0.0 109.893 -171.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -121.46 177.33 5.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.159 1.384 . . . . 0.0 109.879 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -93.7 -53.36 4.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -169.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.1 p -110.25 153.39 24.89 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.94 -26.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.409 -0.807 . . . . 0.0 111.072 169.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -41.8 93.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.547 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.42 -13.57 61.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.682 1.128 . . . . 0.0 113.297 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.296 1.438 . . . . 0.0 110.041 -172.513 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -111.8 165.77 11.77 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.914 1.285 . . . . 0.0 109.045 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -147.9 76.96 1.4 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 -170.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.73 126.06 10.06 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 127.664 2.386 . . . . 0.0 108.837 -167.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -172.0 -170.73 0.78 Allowed 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 125.799 1.64 . . . . 0.0 111.543 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.493 HD22 HG12 ' A' ' 17' ' ' VAL . 11.2 mt -121.35 159.54 25.89 Favored 'General case' 0 N--CA 1.42 -1.935 0 C-N-CA 127.854 2.462 . . . . 0.0 106.973 169.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 7.4 m-20 -103.87 -53.75 2.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.502 1.921 . . . . 0.0 107.379 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.0 mt 57.67 129.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 130.455 3.502 . . . . 0.0 113.17 -172.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 16' ' ' ILE . 4.3 t -143.21 81.31 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -57.47 110.84 0.94 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 170.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.9 -164.29 1.11 Allowed 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.54 1.136 . . . . 0.0 108.339 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -58.2 -61.84 2.27 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.281 2.232 . . . . 0.0 113.216 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -129.35 7.35 5.37 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.621 1.568 . . . . 0.0 110.704 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -140.81 137.41 33.29 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 129.0 2.92 . . . . 0.0 106.532 -164.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 109.12 20.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 9' ' ' VAL . 77.1 mt -80.21 112.85 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.493 HG12 HD22 ' A' ' 6' ' ' LEU . 66.3 t -99.08 85.04 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 163.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 5.5 mtp85 -61.5 127.47 31.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 166.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' HA ' HD23 ' A' ' 6' ' ' LEU . 2.9 t -88.82 159.31 2.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 171.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -124.57 147.45 48.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.04 0.936 . . . . 0.0 112.061 154.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 91.07 153.08 29.0 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 124.417 1.008 . . . . 0.0 112.17 173.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.07 166.9 1.4 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 111.871 164.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 HD21 ' A' ' 27' ' ' ASN . 1.4 tt -138.69 96.88 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.804 2.042 . . . . 0.0 110.101 -151.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -148.48 -165.96 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.103 1.361 . . . . 0.0 111.083 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.63 -28.56 5.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.619 1.568 . . . . 0.0 113.332 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.66 -44.38 70.63 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.488 1.115 . . . . 0.0 109.404 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.438 HD21 HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -86.36 -13.47 46.37 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.513 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -61.04 -4.38 1.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 p -120.62 -37.36 3.02 Favored 'General case' 0 C--O 1.227 -0.105 0 O-C-N 120.343 -1.473 . . . . 0.0 112.706 150.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -57.0 -65.22 0.66 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.332 0.653 . . . . 0.0 110.723 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 31' ' ' LEU . 7.3 tt -53.38 -47.78 69.19 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.828 0.74 . . . . 0.0 110.558 174.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -50.94 -43.92 60.31 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.022 0.929 . . . . 0.0 110.355 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.77 -45.62 64.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.487 ' HB3' HD12 ' A' ' 6' ' ' LEU . 31.4 mm-40 -57.75 -14.37 5.66 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 124.734 1.214 . . . . 0.0 113.238 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 31' ' ' LEU . 56.8 mt -105.07 -49.98 3.35 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-O 115.292 -2.289 . . . . 0.0 112.095 171.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.19 -33.98 77.05 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 123.819 3.009 . . . . 0.0 111.519 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -72.41 -38.5 68.37 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.113 0.965 . . . . 0.0 108.977 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.79 -52.06 34.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.607 -1.187 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.68 -37.36 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.596 1.089 . . . . 0.0 112.629 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -58.76 -47.94 82.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.091 1.356 . . . . 0.0 110.106 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -64.51 -54.81 26.4 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.861 0.865 . . . . 0.0 111.202 171.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.31 118.12 4.13 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.043 1.737 . . . . 0.0 112.076 -147.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 t -58.18 -47.77 82.39 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.612 1.565 . . . . 0.0 108.768 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.24 132.21 34.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -163.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -69.87 -52.41 25.08 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.051 -174.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -73.65 97.78 2.73 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 117.162 -1.399 . . . . 0.0 111.87 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -85.86 99.89 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -92.0 140.7 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.78 99.25 4.12 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.217 1.371 . . . . 0.0 112.967 -166.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.55 139.49 36.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.581 1.952 . . . . 0.0 110.891 -169.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 54' ' ' VAL . 93.4 mt -131.46 19.49 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.47 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -67.35 -11.91 58.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.704 -1.247 . . . . 0.0 113.889 178.369 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -88.49 -7.54 56.36 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 119.955 -1.716 . . . . 0.0 110.83 174.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 21' ' ' GLY . 35.0 t -107.75 97.62 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 120.531 -1.356 . . . . 0.0 108.416 -158.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.99 -9.92 23.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -138.06 155.11 49.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.7 ttt -154.51 127.01 7.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.33 175.63 8.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.435 1.112 . . . . 0.0 108.151 167.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -32.97 4.15 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 127.86 2.464 . . . . 0.0 111.596 160.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.81 63.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.84 8.41 Favored Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 126.195 1.855 . . . . 0.0 113.241 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.528 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -66.25 -48.47 70.39 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -174.34 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -19.51 23.71 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.301 1.905 . . . . 0.0 112.839 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -95.31 -5.5 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.806 1.303 . . . . 0.0 110.154 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.85 -43.9 3.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.913 1.285 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.92 -29.36 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.632 -0.668 . . . . 0.0 111.944 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.59 -37.28 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.054 -1.029 . . . . 0.0 110.744 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.72 -26.91 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.253 -0.905 . . . . 0.0 109.539 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.37 -32.4 68.54 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.902 -0.498 . . . . 0.0 110.375 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -71.14 -61.65 1.69 Allowed 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 117.082 -1.437 . . . . 0.0 109.625 168.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.95 -44.7 3.55 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.738 1.608 . . . . 0.0 114.043 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -61.0 2.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.25 1.82 . . . . 0.0 108.84 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.424 -1.274 . . . . 0.0 112.15 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.35 -43.36 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.89 1.223 . . . . 0.0 109.082 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 9.78 39.8 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.289 1.036 . . . . 0.0 112.22 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.34 17.55 78.93 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.186 1.374 . . . . 0.0 112.57 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -92.15 160.18 15.31 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -176.64 3.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 110.852 -174.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -159.08 126.17 4.76 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.259 -0.901 . . . . 0.0 110.284 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 102' ' ' LYS . 80.0 mt -143.38 137.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.987 2.115 . . . . 0.0 105.619 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.85 153.49 18.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.29 172.77 12.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.87 35.56 12.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.618 1.567 . . . . 0.0 112.193 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 HG23 ' A' ' 103' ' ' ILE . 4.9 mt -68.56 120.21 14.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.687 -0.633 . . . . 0.0 110.432 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 52' ' ' SER . 38.9 mttt -55.9 149.34 15.19 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.486 170.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.9 -33.17 74.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.465 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 m -62.45 -22.4 66.18 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.286 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mm -112.55 -34.53 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 125.227 1.411 . . . . 0.0 108.841 -171.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -56.81 -52.34 65.45 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -55.09 -38.58 68.3 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.88 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.61 -48.55 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.32 -45.32 91.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -60.69 -51.69 68.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 O-C-N 121.165 -0.959 . . . . 0.0 111.16 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.5 mt -46.44 -57.34 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.353 2.661 . . . . 0.0 110.039 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.272 36.2 m -78.33 13.96 1.37 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.3 m80 54.78 37.68 28.86 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 125.995 1.718 . . . . 0.0 111.715 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -100.01 -33.18 10.6 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.869 2.068 . . . . 0.0 109.804 -176.613 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -40.28 94.29 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.681 0.673 . . . . 0.0 110.184 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -8.97 29.55 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.37 1.468 . . . . 0.0 114.354 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.541 HD11 HD22 ' A' ' 97' ' ' LEU . 23.2 pt -125.09 2.44 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.121 -174.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -118.19 -169.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 129.855 3.262 . . . . 0.0 107.589 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HG2' HG23 ' A' ' 80' ' ' ILE . 62.2 tttt -131.4 137.92 48.88 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 168.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.425 HG23 HD12 ' A' ' 84' ' ' LEU . 3.7 mp -128.15 142.64 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -174.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 p -144.45 -177.81 5.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 127.102 2.161 . . . . 0.0 108.577 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.66 -53.29 2.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 126.194 1.798 . . . . 0.0 108.669 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 p -114.96 143.18 45.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.78 -32.04 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -19.25 63.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.396 1.878 . . . . 0.0 113.386 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -9.53 49.95 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.08 1.352 . . . . 0.0 113.482 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 126.584 1.953 . . . . 0.0 112.749 -173.632 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -123.86 -45.31 2.03 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.272 1.029 . . . . 0.0 110.4 -167.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.0 t30 56.39 49.27 15.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.56 1.944 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 65.28 130.08 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 130.187 3.395 . . . . 0.0 113.251 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -159.8 173.13 16.45 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 125.688 1.595 . . . . 0.0 108.604 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.817 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.96 167.78 9.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.734 1.613 . . . . 0.0 108.102 175.245 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.16 -24.98 4.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.985 0.914 . . . . 0.0 111.761 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mt 41.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 130.851 3.66 . . . . 0.0 116.606 164.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.61 89.73 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 127.448 2.299 . . . . 0.0 108.627 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.93 112.86 1.63 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.288 -1.507 . . . . 0.0 107.976 171.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 5.8 tt0 -80.04 -155.65 0.11 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.179 0.992 . . . . 0.0 108.553 172.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.87 -43.47 58.48 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.594 -1.317 . . . . 0.0 112.067 -175.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -130.2 -18.32 3.3 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.998 0.919 . . . . 0.0 111.76 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -105.49 150.47 25.29 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 121.208 -0.932 . . . . 0.0 110.204 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.8 106.98 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 HG11 ' A' ' 107' ' ' VAL . 46.4 mt -78.89 87.01 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.3 78.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 58.4 mtt180 -54.45 133.76 45.79 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 163.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.11 145.59 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 119.208 0.913 . . . . 0.0 108.584 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -130.82 138.59 49.95 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.167 0.987 . . . . 0.0 109.817 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.0 147.56 20.76 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.799 1.666 . . . . 0.0 111.018 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -53.78 155.5 3.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.468 1.907 . . . . 0.0 112.455 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -108.65 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.323 1.449 . . . . 0.0 109.524 -170.384 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -139.52 -164.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.49 1.116 . . . . 0.0 112.416 -173.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 28' ' ' SER . . . -48.8 -30.96 6.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.936 1.294 . . . . 0.0 113.198 172.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -64.59 -34.63 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.855 1.207 . . . . 0.0 109.547 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -13.77 19.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.494 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 38.2 t -43.73 -24.23 0.12 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.283 1.833 . . . . 0.0 115.134 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 p -121.68 -26.19 4.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.426 162.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.94 -65.38 0.69 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.479 1.036 . . . . 0.0 109.474 -171.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 35' ' ' LEU . 9.5 tt -55.93 -45.59 78.72 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 124.578 1.151 . . . . 0.0 109.803 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HB2' HG23 ' A' ' 64' ' ' THR . 28.4 ttpt -51.84 -44.25 63.51 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.041 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 -47.37 71.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 110.389 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.541 ' CD ' HD21 ' A' ' 6' ' ' LEU . 18.3 mm-40 -56.21 -18.76 11.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 125.129 1.372 . . . . 0.0 112.278 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.55 HD12 HD21 ' A' ' 31' ' ' LEU . 29.2 mt -106.37 -48.57 3.53 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-O 115.012 -2.423 . . . . 0.0 111.297 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -57.22 -33.1 67.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 124.019 3.1 . . . . 0.0 110.834 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.4 -48.71 63.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.81 1.244 . . . . 0.0 109.054 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -71.5 -47.09 57.62 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.842 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.1 mp -44.09 -40.62 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 120.348 1.431 . . . . 0.0 112.046 169.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.38 -42.75 98.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.724 0.693 . . . . 0.0 110.486 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -72.11 -49.13 38.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.834 0.853 . . . . 0.0 112.711 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.1 t -57.56 126.5 27.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 123.168 1.461 . . . . 0.0 112.847 -147.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -77.79 -7.59 56.81 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 126.101 1.76 . . . . 0.0 112.648 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 11' ' ' GLN . 45.9 mmtm -124.97 108.18 11.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -169.325 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.23 -25.25 66.01 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.127 0.876 . . . . 0.0 112.37 -163.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -86.47 87.28 7.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 118.833 0.742 . . . . 0.0 109.647 -166.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 42' ' ' THR . 8.2 mm -82.23 99.55 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -170.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.8 t -96.64 127.46 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HB2' HD23 ' A' ' 81' ' ' LEU . 4.3 mm? -112.34 99.22 7.84 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.987 1.315 . . . . 0.0 109.157 -172.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 9.6 t0 -73.81 130.03 39.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.408 1.083 . . . . 0.0 108.475 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 81' ' ' LEU . 58.5 mt -121.5 14.96 11.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 118.509 0.595 . . . . 0.0 112.183 -174.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -44.09 -36.19 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.117 2.167 . . . . 0.0 113.669 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -101.6 16.37 25.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 119.434 1.016 . . . . 0.0 112.501 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 14.2 t -103.35 153.44 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 104.254 -2.498 . . . . 0.0 104.254 166.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.411 ' O ' HD11 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -156.88 -20.09 0.09 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 120.199 1.363 . . . . 0.0 112.572 171.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.08 146.08 38.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.111 1.364 . . . . 0.0 107.526 166.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.7 ttt -150.55 156.41 41.35 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.089 1.756 . . . . 0.0 107.142 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -150.83 -168.57 3.14 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.659 1.984 . . . . 0.0 108.812 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -22.81 66.92 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.67 -41.99 43.44 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' HG13 ' A' ' 23' ' ' ILE . . . -49.55 -59.92 6.8 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 123.821 0.724 . . . . 0.0 113.612 166.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.65 -45.35 94.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.329 0.652 . . . . 0.0 109.326 -171.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.5 -14.18 48.11 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.502 1.525 . . . . 0.0 112.983 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 32' ' ' LYS . 56.4 m -103.5 -4.03 24.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.196 1.799 . . . . 0.0 110.779 -174.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.73 -42.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.777 1.231 . . . . 0.0 109.189 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.84 -29.01 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.579 1.151 . . . . 0.0 110.806 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.65 -40.71 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.79 1.636 . . . . 0.0 111.484 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.6 -32.23 48.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.096 -165.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.5 -40.23 78.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.521 1.509 . . . . 0.0 110.593 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -65.47 -67.91 0.4 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.06 -41.8 2.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.463 2.305 . . . . 0.0 112.811 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -61.4 2.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.369 2.267 . . . . 0.0 111.181 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -36.93 63.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.209 1.368 . . . . 0.0 111.616 176.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.38 -31.85 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.964 1.705 . . . . 0.0 109.509 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.09 6.82 43.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.79 40.16 64.93 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.73 1.157 . . . . 0.0 112.682 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -118.36 166.85 12.14 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.035 1.334 . . . . 0.0 109.879 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -98.1 -172.65 2.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.639 1.575 . . . . 0.0 111.399 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -167.91 118.81 0.83 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.13 152.57 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 127.124 2.17 . . . . 0.0 106.871 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.489 HD22 HD11 ' A' ' 51' ' ' LEU . 75.3 mt -117.77 139.51 50.96 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 119.727 1.149 . . . . 0.0 108.286 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.66 172.48 12.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.712 0.805 . . . . 0.0 111.577 172.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t 49.81 40.8 21.25 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 126.614 1.966 . . . . 0.0 110.689 -171.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 103' ' ' ILE . 53.6 mt -74.35 162.83 28.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.59 -1.319 . . . . 0.0 109.709 169.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.538 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 18.8 mtmm -133.05 156.29 47.65 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -164.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.19 -23.81 67.6 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.49 0.494 . . . . 0.0 110.107 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 -21.54 60.95 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 55' ' ' SER . 47.9 mm -122.23 -34.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 C-N-CA 124.614 1.166 . . . . 0.0 109.992 -168.649 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -60.62 -44.31 96.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -55.87 -38.71 70.51 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 170.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.95 -47.6 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -34.29 78.08 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.23 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -64.58 -51.13 64.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 120.398 1.454 . . . . 0.0 111.1 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.62 -52.45 17.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.029 2.532 . . . . 0.0 110.337 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -88.53 13.05 12.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.935 0.894 . . . . 0.0 112.677 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 49.95 34.88 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.142 1.777 . . . . 0.0 112.333 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.767 HD11 HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.23 -37.22 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.26 168.862 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.94 -30.52 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.717 -0.614 . . . . 0.0 111.492 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HG3' HG23 ' A' ' 100' ' ' ILE . 8.7 ptmt -74.23 -5.18 40.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 114.139 176.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.428 HG23 ' HG3' ' A' ' 99' ' ' LYS . 23.5 pt -135.34 8.29 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.427 1.491 . . . . 0.0 111.34 -172.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -124.54 -168.63 1.84 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 129.789 3.236 . . . . 0.0 107.444 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -132.8 145.12 50.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 121.61 -0.682 . . . . 0.0 109.818 160.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 84' ' ' LEU . 4.3 mp -127.77 128.45 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 p -126.19 178.69 5.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.825 2.45 . . . . 0.0 108.688 170.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.78 -76.5 0.57 Allowed 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 102.11 -3.293 . . . . 0.0 102.11 -171.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 p -94.37 143.99 25.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.463 HG11 HG23 ' A' ' 16' ' ' ILE . 7.0 t -57.51 -26.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 124.486 1.115 . . . . 0.0 110.542 176.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.46 -39.96 89.47 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.576 -0.702 . . . . 0.0 112.716 169.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 -15.59 59.3 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.276 1.43 . . . . 0.0 113.072 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 126.183 1.793 . . . . 0.0 108.845 173.992 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 mtt . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -96.9 145.22 26.09 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 140.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -151.33 38.98 0.65 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.887 1.221 . . . . 0.0 112.003 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD11 ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 69.72 138.19 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.255 1.822 . . . . 0.0 110.668 179.302 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -178.65 -175.51 0.43 Allowed 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 127.225 2.21 . . . . 0.0 111.213 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.821 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -91.67 -175.26 4.12 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 167.301 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 -45.37 2.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.932 -1.105 . . . . 0.0 111.21 167.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt 63.15 126.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 130.273 3.429 . . . . 0.0 113.041 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -135.54 91.37 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 127.694 2.398 . . . . 0.0 105.709 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.8 109.83 3.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.332 -1.48 . . . . 0.0 108.161 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -153.95 0.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.628 1.171 . . . . 0.0 109.482 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -82.89 -34.82 26.59 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 111.873 -168.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 1.7 t0 -144.95 7.29 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.681 0.792 . . . . 0.0 111.052 170.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 46' ' ' LYS . 14.1 ptmt -132.61 146.38 51.85 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.4 -1.437 . . . . 0.0 109.654 -173.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 110.9 22.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.873 0.76 . . . . 0.0 108.981 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.536 HG23 HG11 ' A' ' 107' ' ' VAL . 69.2 mt -81.7 84.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.65 88.38 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 O-C-N 119.93 -1.731 . . . . 0.0 107.241 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.544 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 16.1 mtp180 -71.31 133.16 45.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 49' ' ' LEU . 61.2 t -104.64 144.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -131.78 128.63 39.21 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 108.695 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 146.54 12.57 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.599 ' HA ' HG13 ' A' ' 54' ' ' VAL . 9.6 p-10 -71.94 156.35 39.36 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 126.356 1.862 . . . . 0.0 112.063 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.507 HG13 HD22 ' A' ' 27' ' ' ASN . 8.9 tt -117.05 120.55 65.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.718 0.77 . . . . 0.0 111.126 -151.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -147.78 -175.46 4.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.908 1.283 . . . . 0.0 110.966 -164.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 -2.99 4.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.358 1.863 . . . . 0.0 115.024 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -95.96 -36.82 10.92 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 109.082 167.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.507 HD22 HG13 ' A' ' 23' ' ' ILE . 60.9 t30 -76.46 -15.58 59.87 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.475 1.11 . . . . 0.0 109.155 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.433 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 89.0 p -63.05 -9.58 10.86 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -120.38 -25.96 5.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.696 167.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -73.74 0.12 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 120.226 1.375 . . . . 0.0 109.204 175.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.77 -33.23 64.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 121.883 2.129 . . . . 0.0 111.969 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HB2' HG23 ' A' ' 64' ' ' THR . 32.6 ttmt -57.62 -56.16 25.47 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.306 172.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.76 -44.19 90.86 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.762 ' HB3' HD11 ' A' ' 6' ' ' LEU . 54.0 mm-40 -64.39 -30.81 71.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.153 0.981 . . . . 0.0 108.698 -170.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.82 -42.63 13.11 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 114.659 -2.591 . . . . 0.0 112.362 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -56.39 -36.93 69.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 123.926 3.057 . . . . 0.0 110.259 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.43 -41.62 55.46 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -70.24 -43.33 70.81 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.601 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.51 -24.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 119.667 1.122 . . . . 0.0 112.732 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -41.15 27.46 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.231 1.378 . . . . 0.0 109.827 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -54.29 -51.32 64.98 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.266 0.939 . . . . 0.0 110.519 166.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 47' ' ' ILE . 1.7 t -53.72 108.96 0.4 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.348 1.459 . . . . 0.0 110.676 -155.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 m -64.23 -49.17 72.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 162.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -92.05 110.78 22.15 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.198 0.599 . . . . 0.0 110.372 -157.588 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' LYS . 71.4 mttt -71.94 -26.51 62.31 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -153.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 14' ' ' LYS . 42.3 tttt -78.45 92.44 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.833 -172.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 42' ' ' THR . 10.0 mm -85.4 98.81 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -169.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -95.43 129.15 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 125.772 1.629 . . . . 0.0 108.862 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 19' ' ' VAL . 4.3 mm? -116.87 100.52 7.83 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.1 0.96 . . . . 0.0 111.257 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.544 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 12.4 t0 -81.81 113.83 20.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.318 1.847 . . . . 0.0 110.398 -174.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.1 mm? -100.75 23.49 10.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.673 1.579 . . . . 0.0 113.709 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 p -60.25 -30.69 69.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.981 0.809 . . . . 0.0 111.134 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.72 -3.4 58.55 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.55 1.54 . . . . 0.0 112.449 -176.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.599 HG13 ' HA ' ' A' ' 22' ' ' ASP . 8.0 t -109.67 85.33 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -162.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 m -80.8 -12.31 59.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.92 1.688 . . . . 0.0 114.646 -166.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -138.55 164.01 30.55 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.751 2.42 . . . . 0.0 107.183 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ttt -158.59 121.24 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.75 172.2 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -56.88 -18.95 15.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.349 1.06 . . . . 0.0 112.198 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.1 70.75 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.59 0.756 . . . . 0.0 110.28 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.29 -49.73 55.27 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.071 0.843 . . . . 0.0 111.915 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -46.12 76.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 O-C-N 121.544 -0.974 . . . . 0.0 109.513 -171.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.3 -14.6 34.31 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.099 -0.834 . . . . 0.0 113.792 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 32' ' ' LYS . 49.4 m -95.27 -22.31 17.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.887 1.275 . . . . 0.0 110.225 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.86 -41.83 9.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 119.157 0.89 . . . . 0.0 110.607 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.04 -32.77 55.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.553 0.741 . . . . 0.0 111.366 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.76 -33.92 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.093 0.957 . . . . 0.0 111.839 174.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 17.3 mm -68.99 -21.5 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.505 0.722 . . . . 0.0 110.499 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -48.94 -53.12 21.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.632 1.106 . . . . 0.0 108.812 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -72.56 -42.56 64.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 116.574 -1.679 . . . . 0.0 111.18 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 11.7 m-20 -59.78 -35.56 74.9 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 121.959 2.163 . . . . 0.0 111.371 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.87 72.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.071 1.349 . . . . 0.0 108.725 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -51.42 -37.53 48.96 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.035 0.934 . . . . 0.0 111.538 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.5 mm -57.65 -41.47 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 118.35 -0.833 . . . . 0.0 109.944 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -93.88 9.72 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.966 1.257 . . . . 0.0 112.695 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.3 43.99 98.65 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.709 1.623 . . . . 0.0 111.835 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 38.6 mmtm -112.86 166.57 11.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.577 1.151 . . . . 0.0 110.567 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -172.8 2.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.394 1.478 . . . . 0.0 110.533 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -168.58 125.25 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.142 1.377 . . . . 0.0 108.43 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.5 mt -144.72 153.6 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 127.236 2.214 . . . . 0.0 106.045 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.31 153.29 31.23 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 p -143.7 165.69 26.95 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.246 1.018 . . . . 0.0 112.806 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.11 34.48 4.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.878 2.071 . . . . 0.0 113.143 173.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.509 HD12 HG23 ' A' ' 103' ' ' ILE . 5.4 mt -68.84 130.74 43.66 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.079 -1.013 . . . . 0.0 109.395 -174.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -63.04 149.09 45.9 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.822 0.82 . . . . 0.0 109.458 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -71.87 -21.59 61.64 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.679 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 t -70.93 -14.38 62.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.136 1.774 . . . . 0.0 112.377 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.75 -38.39 2.06 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.078 0 C-N-CA 126.151 1.781 . . . . 0.0 107.788 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -60.33 -43.84 96.03 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -55.4 -40.23 71.15 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.824 -1.172 . . . . 0.0 112.41 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.07 -50.33 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 -171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.4 -46.34 86.58 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -59.44 -49.06 79.27 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 120.899 -1.125 . . . . 0.0 111.568 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.55 -56.26 23.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.767 2.427 . . . . 0.0 109.879 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -77.01 10.35 2.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.68 0.792 . . . . 0.0 112.286 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 65.55 16.41 10.5 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 127.406 2.282 . . . . 0.0 113.566 174.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.26 -31.67 64.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.706 2.002 . . . . 0.0 110.918 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -36.69 71.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.948 1.249 . . . . 0.0 110.491 -175.283 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -3.48 4.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.4 pt -131.99 4.86 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.962 1.705 . . . . 0.0 111.501 -172.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.69 -173.5 2.8 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 127.589 2.356 . . . . 0.0 107.868 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -122.37 140.22 52.93 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 123.646 0.778 . . . . 0.0 111.263 161.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.509 HG23 HD12 ' A' ' 84' ' ' LEU . 4.1 mp -127.54 145.85 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.3 p -135.95 -167.51 2.05 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.939 1.295 . . . . 0.0 110.377 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -117.88 -45.54 2.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 127.643 2.377 . . . . 0.0 107.348 -168.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -119.63 148.12 43.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.933 1.293 . . . . 0.0 108.872 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.536 HG11 HG23 ' A' ' 16' ' ' ILE . 5.1 t -56.68 -27.81 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.855 1.262 . . . . 0.0 110.175 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -55.99 -49.0 74.82 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.439 1.096 . . . . 0.0 110.456 173.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -20.89 63.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.798 1.239 . . . . 0.0 111.816 -173.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 CA-C-O 116.813 -1.565 . . . . 0.0 109.494 -177.447 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -127.42 140.92 51.85 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 t30 143.73 94.94 0.0 OUTLIER 'General case' 0 C--O 1.236 0.392 0 C-N-CA 131.19 3.796 . . . . 0.0 102.583 -158.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 5' ' ' LYS . 2.1 tm? -53.53 146.56 12.61 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.483 1.113 . . . . 0.0 108.687 163.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 4' ' ' LEU . 28.9 mttt 154.52 -171.16 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.576 3.55 . . . . 0.0 110.206 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.79 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -121.86 164.61 17.23 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 127.062 2.145 . . . . 0.0 109.416 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.23 -53.63 2.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.243 1.017 . . . . 0.0 109.826 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.3 mt 67.98 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 131.595 3.958 . . . . 0.0 114.518 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.3 t -143.39 100.08 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.138 2.175 . . . . 0.0 108.217 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.06 101.53 2.24 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.831 -1.168 . . . . 0.0 108.958 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -79.77 -157.85 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.034 1.334 . . . . 0.0 108.543 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.75 -51.02 60.68 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.666 -1.272 . . . . 0.0 110.882 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -138.13 -3.37 1.78 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.97 143.94 39.22 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 120.535 -1.353 . . . . 0.0 107.41 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.97 108.26 20.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 169.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 HG22 ' HG2' ' A' ' 18' ' ' ARG . 61.6 mt -77.61 98.45 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.19 84.49 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.719 1.247 . . . . 0.0 107.713 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 5.4 mtm180 -70.31 127.58 33.25 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG2' HD12 ' A' ' 49' ' ' LEU . 77.6 t -90.23 162.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.21 162.09 28.64 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.3 1.84 . . . . 0.0 109.748 163.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 82.59 152.2 10.75 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 124.538 1.066 . . . . 0.0 112.048 170.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -53.76 124.98 16.79 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.558 1.143 . . . . 0.0 109.51 159.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 57' ' ' MET . 0.6 OUTLIER -75.71 112.95 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.263 1.425 . . . . 0.0 108.266 -176.153 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -138.95 176.3 8.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.33 1.062 . . . . 0.0 112.702 -167.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -21.56 34.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.758 1.223 . . . . 0.0 112.706 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -35.88 63.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.402 1.081 . . . . 0.0 108.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.653 HD21 ' C ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -84.49 -12.59 53.97 Favored 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 121.732 -0.605 . . . . 0.0 111.137 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -60.74 -6.69 1.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.363 1.039 . . . . 0.0 112.763 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -33.1 4.08 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 120.725 -1.234 . . . . 0.0 112.325 159.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.02 -60.53 3.49 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.521 0.6 . . . . 0.0 110.477 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -54.9 -49.36 71.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 126.298 1.839 . . . . 0.0 111.518 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -51.57 -39.85 58.63 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.94 -53.14 12.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.843 1.257 . . . . 0.0 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' CB ' HD11 ' A' ' 6' ' ' LEU . 14.6 mm100 -61.42 0.86 0.25 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 127.331 2.253 . . . . 0.0 112.644 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.0 -47.47 2.39 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 115.001 -2.428 . . . . 0.0 113.451 168.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -60.02 -41.0 91.25 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 124.568 3.349 . . . . 0.0 111.021 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -73.96 -39.86 63.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -64.65 -49.61 70.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.047 1.339 . . . . 0.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.34 -32.34 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.428 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -62.64 -55.87 23.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -44.91 93.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.122 0.569 . . . . 0.0 111.814 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.496 ' O ' ' HE2' ' A' ' 77' ' ' LYS . 8.8 t -57.07 123.99 17.17 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.139 0.427 . . . . 0.0 110.173 -151.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -71.64 -20.92 61.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.921 -0.487 . . . . 0.0 110.466 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -107.37 137.92 44.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 119.257 0.935 . . . . 0.0 110.072 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.35 -34.76 36.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.711 -1.131 . . . . 0.0 113.205 -165.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -87.04 94.82 9.73 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.287 0.494 . . . . 0.0 110.425 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -81.98 102.9 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.57 114.76 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 19' ' ' VAL . 4.3 mm? -91.02 126.9 36.24 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 117.099 -1.429 . . . . 0.0 109.124 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 31.0 t0 -100.85 120.08 39.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 129.86 3.264 . . . . 0.0 110.117 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD12 HG21 ' A' ' 54' ' ' VAL . 2.7 mm? -114.41 19.72 16.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.243 1.017 . . . . 0.0 112.808 -172.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -53.67 -38.37 64.09 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.41 0.684 . . . . 0.0 112.384 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -85.4 0.91 50.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.684 1.594 . . . . 0.0 112.791 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.547 HG21 HD12 ' A' ' 51' ' ' LEU . 91.2 t -98.34 96.82 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 119.562 1.074 . . . . 0.0 108.729 -168.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -78.48 -34.88 47.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.043 1.337 . . . . 0.0 113.672 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -136.21 158.71 43.76 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.458 1.503 . . . . 0.0 108.21 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' HG23 ' A' ' 23' ' ' ILE . 4.3 ttt -142.35 122.87 14.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.948 1.299 . . . . 0.0 110.012 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.77 170.44 15.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.483 0.659 . . . . 0.0 110.494 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.8 p -51.7 -29.46 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.647 1.579 . . . . 0.0 112.308 166.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.58 78.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.64 -54.08 40.09 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.425 2.441 . . . . 0.0 111.122 -173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -75.21 -38.56 60.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -174.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.54 -16.79 59.11 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.046 -0.863 . . . . 0.0 112.827 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -90.22 -50.09 6.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.9 -33.05 71.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.002 -1.061 . . . . 0.0 112.251 -171.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.9 -26.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.131 -0.981 . . . . 0.0 111.679 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.89 -39.36 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.368 1.067 . . . . 0.0 108.476 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.31 -37.77 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 123.288 0.635 . . . . 0.0 110.453 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.83 -44.39 63.55 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.385 0.538 . . . . 0.0 110.241 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -67.49 -63.52 1.04 Allowed 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.433 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.56 -45.86 1.66 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.416 1.886 . . . . 0.0 112.202 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.26 -64.09 0.98 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.976 0.91 . . . . 0.0 109.213 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.22 -37.61 64.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.729 1.212 . . . . 0.0 113.19 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.76 -41.37 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 125.981 1.713 . . . . 0.0 108.545 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -6.97 57.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.635 1.174 . . . . 0.0 112.022 177.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.3 22.73 43.2 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.832 1.682 . . . . 0.0 114.699 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 42' ' ' THR . 12.2 mttp -108.3 164.42 12.33 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.19 1.495 . . . . 0.0 110.933 -175.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -91.59 175.1 7.03 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 110.699 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -158.63 128.17 5.71 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.125 -0.984 . . . . 0.0 110.608 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.9 mt -146.5 153.65 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.833 2.453 . . . . 0.0 106.815 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.04 143.48 45.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.08 2.152 . . . . 0.0 107.423 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 90.1 p -129.36 158.81 38.1 Favored 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.714 2.006 . . . . 0.0 110.058 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m 55.89 22.84 5.99 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.221 1.564 . . . . 0.0 115.221 168.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.621 HD12 HG23 ' A' ' 103' ' ' ILE . 10.4 mt -58.41 129.14 40.62 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 125.692 1.597 . . . . 0.0 109.68 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -64.26 161.8 15.92 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.665 0.745 . . . . 0.0 109.705 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.29 -37.65 88.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.83 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -12.41 61.15 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.762 -173.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -104.99 -39.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -63.12 -45.53 91.56 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -57.22 -37.12 71.76 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.284 -0.885 . . . . 0.0 111.873 173.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -50.8 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 -176.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.19 -52.44 64.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.05 -46.13 71.85 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.953 0.901 . . . . 0.0 111.311 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -54.15 -56.83 14.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.276 1.03 . . . . 0.0 108.736 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 p -68.96 9.59 0.38 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 57.12 19.29 4.67 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 112.366 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.18 -29.24 61.67 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.132 1.373 . . . . 0.0 110.168 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -31.18 71.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.498 1.045 . . . . 0.0 111.367 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HE2' HG23 ' A' ' 100' ' ' ILE . 11.5 ptmt -72.95 0.22 11.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.785 -1.102 . . . . 0.0 113.402 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' HE2' ' A' ' 99' ' ' LYS . 17.6 pt -136.45 -5.58 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 119.788 1.177 . . . . 0.0 112.163 -172.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -114.28 -170.65 1.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.706 2.402 . . . . 0.0 108.665 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -136.09 128.27 29.88 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 121.369 -0.832 . . . . 0.0 108.8 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.621 HG23 HD12 ' A' ' 84' ' ' LEU . 5.0 mp -127.5 117.43 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -169.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . 0.25 1.5 p -128.82 174.78 9.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 124.832 1.253 . . . . 0.0 108.431 171.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.18 -63.82 1.13 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -164.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 50.9 p -93.42 137.86 32.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.67 -28.15 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.906 0.883 . . . . 0.0 110.072 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.2 -51.47 67.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.493 1.517 . . . . 0.0 113.348 169.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.99 -16.86 64.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.813 1.188 . . . . 0.0 111.996 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.081 0.952 . . . . 0.0 109.794 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 67.12 -35.31 0.25 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.383 2.273 . . . . 0.0 112.435 -170.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 m120 57.25 35.16 25.8 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 128.237 2.615 . . . . 0.0 112.904 157.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.282 0.2 OUTLIER 54.15 104.08 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.705 2.802 . . . . 0.0 112.611 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -143.79 150.97 39.35 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.309 1.043 . . . . 0.0 109.79 172.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -83.29 167.8 17.29 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.403 164.499 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.2 -45.75 2.93 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.163 0.915 . . . . 0.0 111.619 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 6' ' ' LEU . 98.3 mt 64.24 129.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 131.302 3.841 . . . . 0.0 114.299 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.85 91.89 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 128.03 2.532 . . . . 0.0 105.694 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.21 102.35 1.67 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -160.24 0.22 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.8 -48.99 67.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 120.87 -1.144 . . . . 0.0 109.594 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -143.53 8.8 1.57 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -114.44 149.85 35.63 Favored 'General case' 0 C--N 1.34 0.177 0 O-C-N 120.101 -1.624 . . . . 0.0 108.21 165.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -102.81 107.43 18.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.005 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.48 91.98 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' HB ' HD13 ' A' ' 49' ' ' LEU . 36.9 t -84.72 86.27 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 120.147 -1.596 . . . . 0.0 107.575 173.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.6 mtp180 -66.02 127.56 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 167.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 49' ' ' LEU . 11.8 t -99.37 145.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -129.25 150.36 50.66 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.23 0.612 . . . . 0.0 109.494 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.25 164.77 33.59 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.15 145.38 37.75 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.604 1.162 . . . . 0.0 107.916 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.409 HG23 ' HG3' ' A' ' 57' ' ' MET . 1.2 tp -91.73 77.55 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 122.833 1.301 . . . . 0.0 108.55 -172.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -109.46 -177.27 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.939 1.296 . . . . 0.0 112.981 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.2 -9.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.115 2.166 . . . . 0.0 114.804 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -86.01 -32.97 21.19 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 120.693 1.588 . . . . 0.0 109.068 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -19.38 59.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -44.68 -27.5 0.5 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 125.576 1.798 . . . . 0.0 113.018 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 p -120.87 -31.72 4.14 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.793 162.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.62 -67.19 0.38 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.373 0.988 . . . . 0.0 110.651 -169.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.589 HD21 HD12 ' A' ' 35' ' ' LEU . 8.5 tt -54.74 -46.33 74.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.785 1.634 . . . . 0.0 109.307 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -48.59 60.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.995 0.809 . . . . 0.0 109.346 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.94 -50.77 72.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.251 1.42 . . . . 0.0 111.215 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 6' ' ' LEU . 1.8 mt-30 -61.02 -11.17 7.35 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.855 0.862 . . . . 0.0 112.999 -177.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.589 HD12 HD21 ' A' ' 31' ' ' LEU . 37.3 mt -114.14 -40.63 3.66 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.165 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -55.72 -44.63 77.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 124.162 3.165 . . . . 0.0 109.42 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -74.03 -36.22 64.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -174.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -73.33 -48.14 36.78 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.264 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.47 ' HA ' HG22 ' A' ' 42' ' ' THR . 21.2 mt -56.34 -32.64 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 120.656 1.571 . . . . 0.0 112.212 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -74.36 -14.21 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 111.921 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.2 m -97.07 -47.15 5.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.413 1.885 . . . . 0.0 110.957 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 39' ' ' ILE . 12.2 t -63.38 142.01 58.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.586 1.184 . . . . 0.0 112.382 -147.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.03 -3.45 58.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 127.02 2.128 . . . . 0.0 112.58 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 50.4 mmtt -117.81 145.31 44.64 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.924 1.238 . . . . 0.0 109.522 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -86.24 -36.58 19.32 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.968 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.03 93.44 2.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 121.546 1.976 . . . . 0.0 111.435 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -81.47 103.41 8.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 122.053 2.206 . . . . 0.0 105.445 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 t -101.02 133.67 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.063 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.2 mm? -105.66 146.87 29.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 11.1 t0 -125.76 115.23 19.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.177 1.391 . . . . 0.0 110.157 177.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.41 20.89 15.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.398 1.079 . . . . 0.0 111.731 -163.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.32 62.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.358 1.063 . . . . 0.0 113.063 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -84.03 -12.11 55.69 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.095 0.958 . . . . 0.0 112.753 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.21 105.0 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 -19.65 19.8 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 112.32 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -137.63 150.27 47.26 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.808 1.643 . . . . 0.0 109.466 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG3' HG23 ' A' ' 23' ' ' ILE . 10.7 ttt -139.78 140.61 36.72 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 126.359 1.864 . . . . 0.0 108.399 172.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 59' ' ' SER . 31.5 t70 -117.43 -179.83 3.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.516 1.127 . . . . 0.0 109.132 168.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.434 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 51.1 m -71.53 -12.13 61.22 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.356 1.862 . . . . 0.0 113.661 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -52.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -24.47 -66.57 0.04 OUTLIER Glycine 0 C--O 1.225 -0.448 0 C-N-CA 130.282 3.801 . . . . 0.0 112.812 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.49 -39.82 73.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.185 0.994 . . . . 0.0 111.648 -171.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.27 -13.83 63.09 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.8 1.19 . . . . 0.0 113.085 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -101.82 -7.75 22.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.341 1.456 . . . . 0.0 108.835 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -107.74 -42.86 4.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.418 1.087 . . . . 0.0 111.095 173.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.36 -34.04 49.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 120.246 1.385 . . . . 0.0 110.77 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.61 -35.19 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.775 0.83 . . . . 0.0 110.636 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.07 -23.86 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.532 1.133 . . . . 0.0 110.698 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.0 -49.35 77.13 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.671 1.578 . . . . 0.0 108.25 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -58.26 -64.09 1.04 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 117.306 -1.331 . . . . 0.0 108.496 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -38.69 28.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.834 1.197 . . . . 0.0 113.436 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -55.37 20.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.692 1.197 . . . . 0.0 110.422 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -35.73 54.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.95 1.3 . . . . 0.0 111.603 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.28 -56.31 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 119.781 1.173 . . . . 0.0 107.983 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.64 5.92 29.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.69 0.757 . . . . 0.0 111.631 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.69 45.71 92.02 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 125.872 1.701 . . . . 0.0 111.603 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -101.3 156.53 17.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.836 0.854 . . . . 0.0 109.353 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -83.42 176.31 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.788 0.804 . . . . 0.0 109.017 163.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 4.5 t80 -150.69 129.74 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 127.615 2.366 . . . . 0.0 105.86 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.428 HG23 ' HG2' ' A' ' 102' ' ' LYS . 40.3 mt -146.94 150.3 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 79' ' ' PHE . 79.8 mt -120.35 124.23 45.03 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.784 1.234 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 161.09 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.191 0.996 . . . . 0.0 111.179 -177.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t 53.9 29.75 10.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.765 1.626 . . . . 0.0 114.132 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.3 122.53 16.4 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 120.159 -1.588 . . . . 0.0 109.153 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -61.28 157.24 16.84 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-O 121.702 0.763 . . . . 0.0 109.444 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.61 -35.09 75.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.391 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m -71.34 -10.58 60.0 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.5 mm -115.57 -41.42 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.71 99.86 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.919 -0.488 . . . . 0.0 109.738 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.66 -37.62 73.71 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.149 -0.969 . . . . 0.0 111.953 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.06 -47.03 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.26 -49.82 76.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -59.23 -43.6 92.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 120.179 -1.575 . . . . 0.0 112.099 -178.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.52 -60.66 3.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.847 1.659 . . . . 0.0 108.309 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.97 18.82 0.08 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 114.144 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.25 38.82 5.44 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.231 2.212 . . . . 0.0 113.114 -175.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -100.49 -24.21 14.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.089 2.156 . . . . 0.0 109.906 -174.41 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.0 -49.55 67.37 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.248 0.931 . . . . 0.0 109.608 177.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.49 3.31 0.21 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 128.49 2.716 . . . . 0.0 116.566 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.4 pt -140.24 8.22 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 C-N-CA 125.227 1.411 . . . . 0.0 110.546 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.0 m-85 -132.38 -169.88 2.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.783 3.633 . . . . 0.0 109.451 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.428 ' HG2' HG23 ' A' ' 80' ' ' ILE . 27.0 tttt -127.94 134.82 49.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 124.67 1.188 . . . . 0.0 110.169 173.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.04 130.3 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 125.533 1.771 . . . . 0.0 109.085 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -137.01 -179.59 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.033 1.733 . . . . 0.0 110.543 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 -49.23 6.0 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 120.921 -1.112 . . . . 0.0 109.366 -169.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 p -123.82 159.27 29.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.84 -19.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.552 -0.717 . . . . 0.0 111.272 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.59 -48.02 70.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.025 0.93 . . . . 0.0 110.621 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.92 -18.1 64.06 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.198 0.999 . . . . 0.0 111.917 -171.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.16 1.784 . . . . 0.0 110.323 -178.073 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 119.16 -0.447 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -157.39 160.18 38.15 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.269 1.028 . . . . 0.0 108.335 162.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -127.01 74.62 1.51 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 27' ' ' ASN . 5.5 tp -61.21 121.03 11.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 170.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mttp 169.07 176.26 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 130.012 3.325 . . . . 0.0 106.331 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.744 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.11 152.64 29.36 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.299 1.44 . . . . 0.0 108.169 176.317 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -47.31 3.87 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.087 0.867 . . . . 0.0 110.478 -164.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.6 mt 68.44 125.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 128.764 2.826 . . . . 0.0 113.539 166.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.4 t -147.21 79.11 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 128.531 2.733 . . . . 0.0 106.844 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 74.4 mt-10 -64.89 120.84 13.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.022 -1.674 . . . . 0.0 109.704 170.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -95.22 -145.58 0.27 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.706 2.003 . . . . 0.0 109.627 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -73.88 0.09 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.699 1.2 . . . . 0.0 110.351 168.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -16.45 13.71 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.704 1.202 . . . . 0.0 111.347 -168.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HE2' ' HE3' ' A' ' 46' ' ' LYS . 18.7 ptpt -112.87 126.96 56.02 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.399 1.48 . . . . 0.0 108.12 -168.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . . . -80.46 98.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 166.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -74.16 122.2 26.91 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.75 95.22 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 123.654 1.692 . . . . 0.0 109.148 168.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.58 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.2 mtt-85 -59.94 119.82 8.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.908 162.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.44 147.07 6.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 8.8 mt-30 -126.07 155.53 41.41 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.688 1.195 . . . . 0.0 110.738 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 81.58 161.97 28.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.585 1.564 . . . . 0.0 110.951 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -71.52 153.56 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.894 1.277 . . . . 0.0 108.743 171.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.406 HG23 ' HG3' ' A' ' 57' ' ' MET . 0.9 OUTLIER -113.73 93.73 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 125.34 1.456 . . . . 0.0 111.414 -158.259 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -144.29 -166.81 2.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.502 1.121 . . . . 0.0 112.763 -171.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.99 -22.3 0.31 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.756 1.622 . . . . 0.0 114.759 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.4 -38.13 63.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.932 1.242 . . . . 0.0 109.011 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' HB3' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -91.39 -12.36 35.07 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 121.938 -0.476 . . . . 0.0 110.038 178.882 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 t -57.34 -12.8 2.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.6 p -113.48 -38.25 4.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.27 156.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.98 -69.99 0.12 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.978 0.911 . . . . 0.0 110.537 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.34 -47.0 62.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.035 0.934 . . . . 0.0 110.107 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -49.65 -50.11 44.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.736 0.414 . . . . 0.0 110.846 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.64 -48.86 65.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.216 1.806 . . . . 0.0 111.171 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.489 ' CB ' HD11 ' A' ' 6' ' ' LEU . 1.6 mm-40 -64.74 -4.3 4.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 127.22 2.208 . . . . 0.0 112.996 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.9 -42.75 3.18 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.407 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -69.95 -40.89 75.19 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 121.396 1.907 . . . . 0.0 110.712 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -67.65 -38.36 83.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.08 -37.3 72.43 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.034 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -33.12 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 120.158 1.344 . . . . 0.0 112.985 175.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -59.9 -49.95 75.67 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 m -71.17 -40.05 71.52 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 123.76 0.824 . . . . 0.0 113.109 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -59.14 136.31 57.91 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -156.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t -83.96 -9.79 58.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.76 2.424 . . . . 0.0 112.656 -174.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -120.88 166.74 13.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -172.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -100.08 -41.72 7.03 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.636 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HE3' ' HE2' ' A' ' 14' ' ' LYS 0.258 13.1 ttpt -79.79 96.89 6.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.947 1.249 . . . . 0.0 110.294 -169.43 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -88.83 104.76 15.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.74 99.59 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 125.654 1.581 . . . . 0.0 109.701 -162.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 111.09 22.42 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 123.988 0.915 . . . . 0.0 111.885 -170.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 18.0 t70 -91.44 138.69 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.808 2.043 . . . . 0.0 112.797 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.59 HD12 HG21 ' A' ' 54' ' ' VAL . 3.0 mm? -123.33 20.19 9.7 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -24.09 61.33 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.695 -1.253 . . . . 0.0 112.292 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 58.6 m -72.9 -44.41 61.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.398 -1.439 . . . . 0.0 112.009 170.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG21 HD12 ' A' ' 51' ' ' LEU . 59.9 t -82.18 120.75 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -154.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.1 m -125.19 -10.42 7.03 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -130.72 150.95 51.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.373 1.469 . . . . 0.0 107.934 163.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.406 ' HG3' HG23 ' A' ' 23' ' ' ILE . 4.2 ttt -142.59 130.62 21.86 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.306 1.842 . . . . 0.0 106.789 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -101.28 170.05 8.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 163.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -61.19 -8.97 4.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.947 -1.095 . . . . 0.0 112.847 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.68 77.04 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -55.19 -54.82 31.61 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 125.715 1.626 . . . . 0.0 112.08 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -72.09 -38.45 69.37 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.209 -2.348 . . . . 0.0 109.371 -178.648 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.97 -6.31 12.15 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.505 1.526 . . . . 0.0 113.418 170.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 61.3 m -86.9 -65.45 1.01 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 167.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.39 -42.04 98.09 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 118.511 0.596 . . . . 0.0 111.438 -164.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -52.62 -29.01 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -39.62 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-O 121.661 0.743 . . . . 0.0 111.197 175.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.9 -27.59 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 125.608 1.563 . . . . 0.0 109.687 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.56 -47.75 63.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.082 0.953 . . . . 0.0 109.481 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.51 -60.58 3.58 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 117.211 -1.376 . . . . 0.0 110.417 168.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -49.08 -39.08 26.44 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.737 1.153 . . . . 0.0 111.947 -171.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.75 -60.01 4.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 126.987 2.115 . . . . 0.0 109.898 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -41.54 26.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.5 1.12 . . . . 0.0 111.854 174.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mt -60.94 -39.56 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.868 1.213 . . . . 0.0 110.338 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.56 15.94 24.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.903 0.774 . . . . 0.0 112.163 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.6 81.38 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.935 1.731 . . . . 0.0 112.953 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -98.53 163.03 12.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.162 0.981 . . . . 0.0 110.196 -175.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 178.13 6.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.923 1.689 . . . . 0.0 109.312 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -160.09 125.3 3.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.544 1.137 . . . . 0.0 110.294 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 70.7 mt -140.3 149.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 101' ' ' PHE . 2.2 mm? -103.83 149.46 25.03 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 120.145 1.339 . . . . 0.0 109.165 157.39 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.67 169.52 17.5 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.592 0.757 . . . . 0.0 111.584 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m 52.7 30.18 8.44 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.33 160.36 16.12 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.211 -0.931 . . . . 0.0 108.76 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -109.42 158.24 18.14 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 123.507 0.723 . . . . 0.0 110.297 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -15.89 63.86 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.351 0.596 . . . . 0.0 112.206 -175.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -85.45 -10.44 56.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.539 1.135 . . . . 0.0 112.689 173.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.2 mm -121.74 -37.43 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.85 1.66 . . . . 0.0 109.177 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -55.28 -50.19 70.18 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 122.823 1.297 . . . . 0.0 108.978 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -54.07 -38.23 65.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.765 1.626 . . . . 0.0 111.576 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.17 -50.3 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 -171.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.87 -48.18 70.3 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.79 -48.34 82.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.894 -1.129 . . . . 0.0 110.956 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -51.98 -44.97 64.29 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.794 2.038 . . . . 0.0 110.035 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -87.35 5.74 37.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.8 27.85 14.67 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 127.37 2.268 . . . . 0.0 113.986 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -84.51 -38.46 20.04 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.605 1.562 . . . . 0.0 110.719 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.86 65.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.999 -1.063 . . . . 0.0 111.664 -171.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.492 ' HE2' HG23 ' A' ' 100' ' ' ILE . 12.6 ptmt -74.52 -20.01 60.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.43 1.092 . . . . 0.0 112.723 174.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.492 HG23 ' HE2' ' A' ' 99' ' ' LYS . 18.5 pt -118.44 -37.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 119.83 1.195 . . . . 0.0 110.401 -166.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CD2' HD21 ' A' ' 81' ' ' LEU . 4.2 m-30 -72.0 -174.96 1.33 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.572 1.549 . . . . 0.0 110.114 163.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -119.42 153.35 35.36 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.33 134.29 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 165.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.1 p -124.65 -172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.721 1.609 . . . . 0.0 107.375 156.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.05 -33.07 5.18 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 124.233 1.013 . . . . 0.0 110.549 -164.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -128.18 144.95 51.16 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.36 -21.66 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.397 167.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -49.8 76.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.089 2.156 . . . . 0.0 112.155 169.352 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.7 -27.02 63.68 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.396 1.453 . . . . 0.0 112.2 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.551 1.541 . . . . 0.0 110.959 -172.528 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -150.21 161.46 42.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.496 1.919 . . . . 0.0 108.936 172.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -170.0 54.22 0.04 OUTLIER 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 123.752 0.821 . . . . 0.0 109.256 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 27' ' ' ASN . 1.7 tm? 54.31 146.31 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 130.156 3.382 . . . . 0.0 114.385 -165.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -166.99 177.71 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 125.484 1.514 . . . . 0.0 111.329 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' CD2' HG12 ' A' ' 17' ' ' VAL . 10.8 mt -120.19 165.08 15.27 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 127.736 2.414 . . . . 0.0 109.144 168.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -45.92 2.51 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.774 1.23 . . . . 0.0 112.637 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt 57.98 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 130.44 3.496 . . . . 0.0 115.196 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.34 86.95 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 127.143 2.177 . . . . 0.0 108.641 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.35 120.07 13.24 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.054 -1.654 . . . . 0.0 108.159 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -145.55 0.13 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.819 1.247 . . . . 0.0 109.767 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -67.29 -61.99 1.64 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.661 1.584 . . . . 0.0 110.095 166.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.68 -7.79 1.9 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.28 1.432 . . . . 0.0 111.438 -167.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.43 140.45 44.65 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.886 1.674 . . . . 0.0 107.119 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -104.25 105.43 15.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.64 126.34 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 6' ' ' LEU . 38.5 t -114.16 86.3 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.764 1.226 . . . . 0.0 109.126 173.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -78.53 123.98 27.66 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.05 151.6 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.177 0.991 . . . . 0.0 110.298 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -127.17 134.73 50.12 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.902 166.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.31 159.39 25.12 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.77 149.01 32.25 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.593 0.711 . . . . 0.0 109.832 156.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.407 HG22 ' CG1' ' A' ' 54' ' ' VAL . 13.4 tt -104.06 140.23 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.413 2.285 . . . . 0.0 106.996 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -175.72 -175.89 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 120.775 -1.203 . . . . 0.0 112.443 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.82 58.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.888 -1.054 . . . . 0.0 111.916 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.47 -28.11 69.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.249 1.386 . . . . 0.0 112.185 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB3' HD12 ' A' ' 4' ' ' LEU . 7.6 p30 -117.73 -0.41 11.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 112.28 -174.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.2 p -51.46 -10.48 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 161.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -120.85 -32.94 3.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 115.913 -1.994 . . . . 0.0 113.932 151.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -68.33 0.19 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 119.853 1.206 . . . . 0.0 110.668 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.47 -40.42 78.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.235 1.414 . . . . 0.0 111.621 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' A' ' 64' ' ' THR . 20.1 ttpt -59.1 -47.32 85.69 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 123.127 0.571 . . . . 0.0 109.839 -176.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.48 -43.71 63.28 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.401 0.68 . . . . 0.0 109.56 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.08 -11.59 9.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.042 0.937 . . . . 0.0 111.594 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.6 mt -105.67 -50.62 3.16 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 115.638 -2.125 . . . . 0.0 110.436 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -64.89 -33.96 77.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 123.91 3.05 . . . . 0.0 111.551 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.86 -46.2 75.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.2 -49.8 66.07 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.749 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 mt -50.95 -28.02 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 125.14 1.376 . . . . 0.0 112.312 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -48.09 25.46 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.902 0.773 . . . . 0.0 110.241 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -55.05 -46.64 75.37 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.64 1.176 . . . . 0.0 111.564 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 115.47 3.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 122.649 1.214 . . . . 0.0 111.646 -152.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -14.7 62.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.338 2.255 . . . . 0.0 113.95 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.694 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 6.9 mptt -98.11 169.4 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.069 1.748 . . . . 0.0 109.338 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -115.06 -31.74 5.95 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -79.86 94.99 5.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.411 1.46 . . . . 0.0 109.287 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.8 mm -89.34 102.74 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 107' ' ' VAL . 3.5 t -105.06 125.14 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.94 143.75 26.4 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-O 117.098 -1.429 . . . . 0.0 107.705 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' HA ' ' OG ' ' A' ' 82' ' ' SER . 13.8 t70 -113.05 122.89 48.95 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 130.714 3.606 . . . . 0.0 107.869 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -118.21 23.76 11.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.657 0.783 . . . . 0.0 110.749 -171.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -30.44 71.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.426 -0.796 . . . . 0.0 111.48 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.6 m -81.56 -10.57 59.42 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.33 -1.481 . . . . 0.0 111.623 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' CG1' HG22 ' A' ' 23' ' ' ILE . 47.7 t -88.89 84.55 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -171.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 2.5 m -70.7 -22.5 62.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.541 1.137 . . . . 0.0 113.41 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -147.89 158.7 44.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.588 2.355 . . . . 0.0 107.246 -176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.455 ' HB2' HD12 ' A' ' 88' ' ' ILE . 2.5 ttt -144.43 125.49 14.49 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.36 1.464 . . . . 0.0 107.478 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.09 158.41 22.44 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -52.02 -8.42 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.235 2.614 . . . . 0.0 114.771 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.4 -26.17 13.69 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.373 1.469 . . . . 0.0 109.742 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.88 -49.3 80.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.71 -42.14 98.55 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 121.938 -0.742 . . . . 0.0 109.896 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.91 -9.55 47.1 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.433 1.492 . . . . 0.0 112.654 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 32' ' ' LYS . 52.2 m -107.66 0.21 22.32 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 126.925 2.09 . . . . 0.0 110.381 -176.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.8 mt -118.82 -32.21 4.58 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.095 0.958 . . . . 0.0 110.058 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.98 -41.47 83.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -64.85 -29.14 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.581 1.553 . . . . 0.0 112.451 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.14 -18.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.454 0.701 . . . . 0.0 109.801 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.22 -54.52 16.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.323 0.965 . . . . 0.0 108.692 168.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -56.39 -66.31 0.46 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 116.865 -1.541 . . . . 0.0 110.081 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -41.14 -44.4 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 120.842 1.655 . . . . 0.0 112.591 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -59.29 4.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 110.243 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -31.78 61.43 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.821 1.648 . . . . 0.0 111.938 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.2 mt -57.77 -48.18 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.794 1.634 . . . . 0.0 108.585 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.55 11.56 30.51 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.326 0.651 . . . . 0.0 112.025 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.91 76.25 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.134 1.35 . . . . 0.0 113.629 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -92.55 158.68 15.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.06 -177.45 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.164 0.586 . . . . 0.0 110.536 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -158.06 130.91 7.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.471 1.108 . . . . 0.0 110.212 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.8 mt -144.09 156.73 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.39 2.276 . . . . 0.0 107.454 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.23 141.34 48.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.534 1.533 . . . . 0.0 108.592 171.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 59.5 p -128.83 166.18 19.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.792 2.037 . . . . 0.0 111.174 -177.446 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m 50.62 30.19 4.68 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.137 1.775 . . . . 0.0 114.214 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.445 HD12 HG23 ' A' ' 103' ' ' ILE . 7.0 mt -66.92 130.12 42.11 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.482 -1.386 . . . . 0.0 110.238 -170.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 55' ' ' SER . 55.5 mttt -65.91 147.79 52.81 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.531 169.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.09 -39.89 83.59 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.469 1.106 . . . . 0.0 108.896 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 m -66.89 -12.37 59.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.486 0.714 . . . . 0.0 112.615 -172.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 57' ' ' MET . 18.5 mm -113.33 -41.99 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 128.207 2.603 . . . . 0.0 107.762 -174.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -39.4 93.02 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.897 0.879 . . . . 0.0 109.145 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -55.93 -54.64 42.23 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.32 165.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -58.79 -41.01 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 108.977 -164.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -51.68 -53.48 38.53 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 172.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -64.6 -35.7 81.86 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.452 -1.405 . . . . 0.0 111.771 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 mp -61.36 -18.33 58.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.297 1.039 . . . . 0.0 112.328 170.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -115.62 18.52 15.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.409 1.484 . . . . 0.0 111.242 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 51.01 27.69 3.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.912 2.485 . . . . 0.0 114.28 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -30.93 22.06 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -34.42 77.8 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.444 1.02 . . . . 0.0 109.864 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -63.38 -21.08 66.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.672 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.77 8.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 121.817 2.099 . . . . 0.0 112.856 -165.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -128.13 -171.19 2.39 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 129.821 3.248 . . . . 0.0 107.903 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -125.96 147.13 49.59 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 121.353 -0.842 . . . . 0.0 109.55 163.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 84' ' ' LEU . 4.7 mp -123.79 129.68 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 O-C-N 125.963 2.039 . . . . 0.0 106.224 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.1 p -129.52 172.06 11.94 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.134 1.773 . . . . 0.0 109.983 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.01 -50.91 10.34 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 121.391 -0.818 . . . . 0.0 110.209 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.6 p -119.96 156.41 30.89 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.641 ' HA ' HG11 ' A' ' 48' ' ' VAL . 34.2 m -59.75 -20.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 110.583 167.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.07 -27.79 24.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.557 1.943 . . . . 0.0 112.332 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.63 -21.12 65.4 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.423 1.011 . . . . 0.0 111.633 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 CA-C-O 117.963 -1.017 . . . . 0.0 111.201 177.391 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -67.8 156.12 37.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.401 1.001 . . . . 0.0 110.555 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.5 85.64 1.72 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.804 1.642 . . . . 0.0 107.041 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.62 117.14 4.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 173.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' HD23 ' A' ' 6' ' ' LEU . 4.5 mttp -172.16 179.88 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 127.773 2.429 . . . . 0.0 106.775 175.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -118.24 130.27 55.97 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.628 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.86 -43.84 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 128.049 2.54 . . . . 0.0 109.126 -166.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.5 mt 60.99 121.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 129.319 3.048 . . . . 0.0 113.074 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.08 90.73 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 128.084 2.554 . . . . 0.0 107.839 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.1 120.19 11.6 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.397 -0.815 . . . . 0.0 108.885 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.43 -148.17 0.27 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.491 1.117 . . . . 0.0 109.885 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -77.0 -47.37 20.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.958 1.303 . . . . 0.0 110.099 -168.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -142.32 0.1 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.005 0.907 . . . . 0.0 112.408 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -109.95 138.55 46.16 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB1' ' HZ ' ' A' ' 38' ' ' PHE . . . -85.85 108.77 18.29 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 167.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.6 mt -78.03 129.53 37.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -117.2 83.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 12.3 mtp180 -66.49 130.72 44.13 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.34 147.2 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -128.98 143.43 50.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.07 143.84 15.53 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.001 1.286 . . . . 0.0 110.46 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.25 148.06 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.192 1.797 . . . . 0.0 109.307 159.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 57' ' ' MET . 5.7 tp -109.38 127.46 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -167.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -147.73 -175.29 4.81 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.443 1.097 . . . . 0.0 111.37 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.08 63.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.845 2.058 . . . . 0.0 114.99 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.66 -35.58 29.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 120.322 1.419 . . . . 0.0 109.487 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.78 -13.11 37.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 -165.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.1 p -63.75 0.99 0.68 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 130.581 3.552 . . . . 0.0 114.24 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -120.56 -25.3 5.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.883 159.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.69 -66.66 0.52 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.625 1.102 . . . . 0.0 111.723 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 31' ' ' LEU . 7.0 tt -49.76 -45.38 49.48 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.027 1.285 . . . . 0.0 110.255 176.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -55.48 -50.86 68.81 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.83 -50.74 72.28 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.952 1.301 . . . . 0.0 110.367 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -48.27 -43.26 32.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 125.084 1.49 . . . . 0.0 108.603 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.23 -48.25 8.71 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.137 -1.411 . . . . 0.0 109.852 -168.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -62.22 -32.38 73.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 121.911 2.141 . . . . 0.0 111.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -67.62 -48.79 65.75 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' HZ ' ' HB1' ' A' ' 15' ' ' ALA . 62.5 t80 -73.59 -38.61 65.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -172.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.05 -36.83 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 119.846 1.203 . . . . 0.0 111.467 169.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -53.16 58.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 173.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 m -53.56 -54.84 31.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.584 1.153 . . . . 0.0 111.794 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.4 t -72.36 126.5 29.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -137.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 m -59.5 -11.37 4.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.177 1.791 . . . . 0.0 113.532 170.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -107.44 166.08 10.92 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 119.654 1.116 . . . . 0.0 109.752 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -110.3 -41.41 4.4 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-O 116.981 -1.485 . . . . 0.0 111.037 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' HG13 ' A' ' 47' ' ' ILE . 4.2 mtmm -70.37 145.43 51.13 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 120.835 1.652 . . . . 0.0 110.678 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 78' ' ' GLU . 49.7 mt -137.69 93.21 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.94 104.84 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.16 155.3 23.84 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.479 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.5 t0 -133.6 107.97 8.3 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.851 1.66 . . . . 0.0 107.298 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.07 19.63 20.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.46 1.504 . . . . 0.0 111.178 -167.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 t -51.59 -30.88 22.74 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 175.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -98.03 -5.38 34.11 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.982 1.713 . . . . 0.0 112.268 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -83.14 89.6 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -80.83 -25.01 38.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.025 -1.047 . . . . 0.0 113.007 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -136.14 156.87 48.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.419 ' HG3' ' CG2' ' A' ' 23' ' ' ILE . 10.5 ttt -147.4 138.39 23.63 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 107.544 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.84 174.59 5.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.674 0.79 . . . . 0.0 109.43 166.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m -51.92 -29.02 18.4 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.547 1.139 . . . . 0.0 112.321 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.41 86.33 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.904 0.882 . . . . 0.0 109.46 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.22 59.76 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 125.31 1.433 . . . . 0.0 110.635 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.79 -52.97 46.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.259 1.424 . . . . 0.0 108.928 -172.458 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.422 ' HA2' HG12 ' A' ' 66' ' ' VAL . . . -60.45 -24.34 61.5 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.873 0.749 . . . . 0.0 111.475 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -86.46 -2.06 58.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.597 1.559 . . . . 0.0 111.354 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -117.89 -41.89 2.87 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG12 ' HA2' ' A' ' 63' ' ' GLY . 6.0 p -65.35 -20.27 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.41 0.624 . . . . 0.0 111.916 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.8 -40.63 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 121.399 -0.813 . . . . 0.0 110.629 167.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mm -69.06 -31.38 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.259 1.023 . . . . 0.0 109.035 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -54.31 -29.71 48.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.88 -1.138 . . . . 0.0 111.319 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -82.96 -62.2 1.66 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 115.821 -2.037 . . . . 0.0 109.32 164.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -44.94 -42.12 7.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 122.21 2.277 . . . . 0.0 113.764 -171.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.66 -58.09 9.43 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.799 2.04 . . . . 0.0 109.586 173.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.69 58.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.979 1.712 . . . . 0.0 113.319 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -61.11 -41.38 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 121.214 1.824 . . . . 0.0 108.482 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.64 12.58 16.43 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.661 0.664 . . . . 0.0 112.168 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.72 48.0 87.29 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 125.394 1.473 . . . . 0.0 112.855 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -120.5 167.83 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.791 0.796 . . . . 0.0 111.021 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -89.87 -175.33 4.58 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 128.012 2.525 . . . . 0.0 111.133 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.17 124.16 0.32 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.798 2.039 . . . . 0.0 108.049 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.3 mt -144.52 144.29 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -106.51 138.67 42.27 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.789 1.236 . . . . 0.0 109.533 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 164.89 27.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.825 0.45 . . . . 0.0 110.884 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t 45.01 44.96 8.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.353 1.461 . . . . 0.0 111.467 -170.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 103' ' ' ILE . 20.0 mt -71.42 124.17 24.0 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.43 155.03 22.71 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-O 122.906 1.336 . . . . 0.0 109.768 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.37 -29.6 67.42 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.909 -1.95 . . . . 0.0 109.84 -174.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -79.19 -4.69 51.74 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.652 1.181 . . . . 0.0 112.109 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.83 -39.23 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 124.901 1.28 . . . . 0.0 108.585 -172.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.7 t -55.8 -47.47 77.07 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.266 1.026 . . . . 0.0 108.649 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -60.32 -37.21 79.91 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 120.676 -1.265 . . . . 0.0 113.258 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.66 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.3 -32.4 66.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.819 171.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -69.67 -49.53 52.66 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 122.58 2.446 . . . . 0.0 111.924 174.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.65 -23.55 6.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.011 1.724 . . . . 0.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -120.11 27.96 8.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.635 1.574 . . . . 0.0 111.666 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 46.34 44.39 12.58 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.707 2.403 . . . . 0.0 114.537 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -112.17 -42.62 3.69 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 128.22 2.608 . . . . 0.0 108.38 -170.244 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -35.47 67.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 110.332 172.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -7.68 47.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.1 pt -134.0 -26.29 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.481 1.113 . . . . 0.0 112.181 -169.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.8 m-30 -74.86 -169.28 0.86 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.157 1.783 . . . . 0.0 109.872 169.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -133.39 134.34 43.56 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 119.094 0.861 . . . . 0.0 109.251 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 84' ' ' LEU . 4.1 mp -124.23 127.59 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 124.7 1.25 . . . . 0.0 108.275 -169.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 p -123.5 173.53 7.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 127.031 2.132 . . . . 0.0 109.075 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.58 -71.35 0.67 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 p -93.4 153.51 18.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.456 1.502 . . . . 0.0 108.352 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.84 -14.24 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.143 167.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -75.16 -22.32 58.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.574 1.95 . . . . 0.0 112.24 170.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -2.04 45.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.1 0.96 . . . . 0.0 111.863 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.387 0 CA-C-O 116.95 -1.5 . . . . 0.0 113.327 -165.79 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 50.76 40.65 24.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.466 1.03 . . . . 0.0 112.412 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 63.0 t30 47.94 48.93 17.57 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.862 1.665 . . . . 0.0 113.192 -172.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.79 105.57 0.19 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.09 1.756 . . . . 0.0 110.839 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.26 28.56 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 123.988 0.915 . . . . 0.0 111.104 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.76 133.97 40.65 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.26 -16.41 19.42 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.005 1.322 . . . . 0.0 111.761 -168.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.2 mt 35.16 119.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.937 1 C-N-CA 132.412 4.285 . . . . 0.0 115.153 169.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.96 85.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 C-N-CA 127.842 2.457 . . . . 0.0 106.2 -174.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.66 112.64 3.76 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 6.3 tm0? -79.75 -147.62 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.96 -60.28 2.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.402 -1.436 . . . . 0.0 109.778 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -139.6 3.31 2.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 122.616 1.198 . . . . 0.0 111.527 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 14.3 ptmt -119.98 140.93 50.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 130.636 3.574 . . . . 0.0 106.098 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -107.97 109.97 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.918 1.287 . . . . 0.0 108.193 -176.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.401 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 34.8 mt -84.69 105.25 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.74 96.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 162.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 6.0 mtm180 -68.9 124.6 24.15 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 161.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 49' ' ' LEU . 69.7 t -86.23 148.26 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 171.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -113.51 154.31 27.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 154.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.67 150.01 13.46 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.74 1.638 . . . . 0.0 112.295 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -55.36 173.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 129.273 3.029 . . . . 0.0 113.298 167.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG22 ' CG1' ' A' ' 54' ' ' VAL . 14.9 tt -136.02 115.0 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 120.102 -1.624 . . . . 0.0 112.16 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.76 -168.99 3.14 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 110.317 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.03 -33.09 64.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.333 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.02 -34.7 79.07 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 121.351 1.887 . . . . 0.0 110.833 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -98.96 -6.73 28.18 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -170.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 8.7 t -68.0 -13.1 61.91 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.021 2.128 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -106.81 -26.49 11.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 119.973 1.26 . . . . 0.0 111.004 163.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -61.65 1.71 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 119.227 0.921 . . . . 0.0 110.133 -175.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.9 tp -53.1 -44.24 67.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.291 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 28' ' ' SER . 24.3 ttmt -54.6 -52.87 60.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.19 0.596 . . . . 0.0 110.829 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.59 -41.0 80.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -58.88 -35.25 72.7 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.998 0.919 . . . . 0.0 109.179 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.81 -46.04 9.79 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-O 115.412 -2.232 . . . . 0.0 111.342 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -56.56 -35.63 68.38 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 123.481 2.855 . . . . 0.0 110.785 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -79.05 -37.6 38.56 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.899 0.879 . . . . 0.0 110.519 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -70.82 -49.7 43.51 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.374 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.469 ' HA ' HG22 ' A' ' 42' ' ' THR . 16.8 mt -49.27 -42.21 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.393 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -59.16 -37.94 78.54 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.416 0.553 . . . . 0.0 111.102 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.7 m -71.53 -58.16 3.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.053 0.941 . . . . 0.0 111.622 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 39' ' ' ILE . 12.1 t -58.74 118.47 5.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.444 1.116 . . . . 0.0 111.299 -145.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 m -60.02 -32.2 70.66 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.877 0.871 . . . . 0.0 111.899 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.69 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 38.4 mmtm -79.06 160.43 27.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 124.297 1.039 . . . . 0.0 108.853 -175.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -106.21 -39.66 5.87 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 117.873 -1.06 . . . . 0.0 111.838 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -76.47 98.26 4.55 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 116.809 -1.567 . . . . 0.0 110.266 -176.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -83.43 102.23 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 121.243 1.838 . . . . 0.0 107.319 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 71.0 t -96.42 120.96 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 128.442 2.697 . . . . 0.0 107.823 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD12 ' CG2' ' A' ' 19' ' ' VAL . 3.9 mm? -111.0 108.99 18.91 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 123.169 0.588 . . . . 0.0 111.395 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 11.7 t70 -79.47 115.98 19.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 116.305 -1.807 . . . . 0.0 111.587 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.283 0.8 OUTLIER -102.81 22.15 14.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 121.943 2.156 . . . . 0.0 115.454 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -69.43 -23.24 63.66 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.844 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -81.4 -35.64 30.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 120.202 1.364 . . . . 0.0 110.934 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' HG22 ' A' ' 23' ' ' ILE . 58.3 t -60.65 95.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.886 -168.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.6 m -93.23 -7.23 45.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.48 146.99 30.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.422 ' HG3' HG23 ' A' ' 23' ' ' ILE . 10.6 ttt -136.87 153.1 50.86 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.988 0.915 . . . . 0.0 108.997 169.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -133.39 169.24 17.23 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.046 1.738 . . . . 0.0 108.364 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -34.88 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 1 C-N-CA 131.896 4.078 . . . . 0.0 113.495 165.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.55 41.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -37.23 -59.98 1.14 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 128.855 3.122 . . . . 0.0 113.639 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.1 -30.13 67.26 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.854 -2.557 . . . . 0.0 110.758 -169.458 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' HA2' HG12 ' A' ' 66' ' ' VAL . . . -63.35 -30.76 78.54 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.724 1.154 . . . . 0.0 112.196 167.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 33.7 m -72.79 -35.39 67.36 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 126.881 2.073 . . . . 0.0 108.161 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.43 -46.04 15.18 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.276 0.489 . . . . 0.0 110.765 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG12 ' HA2' ' A' ' 63' ' ' GLY . 4.2 p -74.37 -12.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.014 -1.054 . . . . 0.0 112.76 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.27 -40.89 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.186 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mm -67.83 -27.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 124.221 1.009 . . . . 0.0 109.212 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.62 -16.64 40.53 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.426 -0.796 . . . . 0.0 111.253 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -82.87 -61.51 1.85 Allowed 'General case' 0 C--O 1.22 -0.464 0 O-C-N 120.274 -1.516 . . . . 0.0 110.766 156.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -47.4 -47.06 26.6 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.026 1.739 . . . . 0.0 114.03 -170.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.12 -50.65 72.15 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.665 1.586 . . . . 0.0 108.636 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -51.28 61.55 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.322 -1.323 . . . . 0.0 110.911 173.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.87 -46.17 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 120.18 1.354 . . . . 0.0 109.641 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' O ' ' HE2' ' A' ' 77' ' ' LYS . 1.8 t-20 -88.7 1.13 55.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.007 0.432 . . . . 0.0 111.818 -171.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.89 32.63 48.97 Favored Glycine 0 N--CA 1.443 -0.898 0 O-C-N 121.657 -0.652 . . . . 0.0 112.478 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' A' ' 75' ' ' ASN . 62.0 mmtt -110.84 149.49 30.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.03 0.915 . . . . 0.0 108.556 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -85.57 175.95 8.49 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.055 1.342 . . . . 0.0 109.309 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -150.12 132.0 15.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 120.721 -1.237 . . . . 0.0 109.309 -172.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 mt -145.55 153.85 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -119.59 143.31 47.71 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 168.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 m -142.93 162.01 36.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.514 1.125 . . . . 0.0 108.462 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m 55.44 70.37 0.64 Allowed 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 141.86 31.55 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 121.958 0.885 . . . . 0.0 110.177 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -72.44 150.57 43.22 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 107.759 168.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.22 -41.36 71.95 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -62.73 -17.51 60.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.151 1.38 . . . . 0.0 112.862 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.8 mm -117.33 -39.6 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 C-N-CA 125.74 1.616 . . . . 0.0 107.552 -167.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -43.25 99.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -58.66 -37.84 76.84 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.54 170.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -66.38 -47.13 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 -172.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.79 -50.81 69.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.49 -51.59 68.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.502 1.121 . . . . 0.0 111.418 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 mt -46.25 -58.94 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 127.568 2.347 . . . . 0.0 109.439 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.68 1.82 9.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.95 27.06 4.52 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 127.649 2.38 . . . . 0.0 111.95 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -38.33 38.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 125.265 1.426 . . . . 0.0 110.171 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -30.19 70.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 120.904 -1.123 . . . . 0.0 111.192 -169.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.81 -6.02 41.98 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.305 1.842 . . . . 0.0 114.254 176.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -127.95 -14.81 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.596 1.158 . . . . 0.0 111.717 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.71 -178.09 3.55 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.936 2.495 . . . . 0.0 109.868 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -113.39 133.88 54.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -128.91 134.58 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.85 174.08 10.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.074 1.75 . . . . 0.0 109.864 175.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -44.35 10.09 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 123.59 1.662 . . . . 0.0 110.783 -165.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.0 p -125.01 158.84 32.71 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.1 m -58.96 -33.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.22 -37.92 70.33 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.679 1.192 . . . . 0.0 112.828 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -77.26 -8.11 57.05 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.425 -0.797 . . . . 0.0 112.169 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.5 1.12 . . . . 0.0 108.728 176.708 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -94.25 122.05 36.4 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.939 1.245 . . . . 0.0 109.22 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -147.78 39.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.421 0.555 . . . . 0.0 111.143 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 66.06 138.1 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.8 1.64 . . . . 0.0 110.51 -169.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -161.09 -173.32 3.82 Favored 'General case' 0 CA--C 1.506 -0.723 0 O-C-N 120.736 -1.228 . . . . 0.0 109.37 -169.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -123.41 176.1 6.35 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 165.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 -42.38 2.49 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.682 0.674 . . . . 0.0 111.311 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.7 mt 64.91 124.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 129.243 3.017 . . . . 0.0 113.116 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.95 87.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 127.19 2.196 . . . . 0.0 105.923 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -61.61 113.25 2.6 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.598 -1.314 . . . . 0.0 108.126 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.69 -154.4 0.18 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.89 2.076 . . . . 0.0 108.069 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.32 -56.52 19.5 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.812 1.245 . . . . 0.0 109.806 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.59 11.28 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -117.75 147.86 42.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.057 -1.027 . . . . 0.0 109.242 165.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.29 109.0 20.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.8 mt -77.46 87.5 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.615 ' HB ' HD13 ' A' ' 49' ' ' LEU . 31.1 t -86.4 90.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 123.819 1.771 . . . . 0.0 108.459 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -67.62 116.79 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 49' ' ' LEU . 49.4 t -98.62 143.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 120.698 1.59 . . . . 0.0 108.47 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -132.84 150.12 52.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.555 1.142 . . . . 0.0 111.705 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.15 150.11 5.29 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.511 1.529 . . . . 0.0 111.393 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.39 143.28 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 109.908 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG23 ' HG3' ' A' ' 57' ' ' MET . 14.9 tt -103.97 116.63 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.522 0.677 . . . . 0.0 110.036 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -150.66 -179.76 7.52 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.212 1.005 . . . . 0.0 111.869 -155.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -16.38 9.34 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.121 -1.612 . . . . 0.0 112.982 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -37.1 27.19 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.547 1.539 . . . . 0.0 108.369 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' HB2' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -76.72 -14.51 59.94 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.693 0.797 . . . . 0.0 109.043 -178.717 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.84 -18.64 5.1 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 124.774 1.296 . . . . 0.0 113.14 -166.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 p -121.08 -22.76 6.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 116.997 -1.478 . . . . 0.0 112.977 165.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.29 -69.22 0.28 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.155 1.343 . . . . 0.0 108.272 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.14 -36.55 80.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -57.29 -45.46 84.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.43 -1.271 . . . . 0.0 109.636 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.78 -50.5 56.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.991 1.268 . . . . 0.0 109.763 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.729 ' HB3' HD11 ' A' ' 6' ' ' LEU . 19.0 mm-40 -61.1 -8.01 3.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.098 1.759 . . . . 0.0 112.212 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.71 -49.54 2.54 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 115.03 -2.414 . . . . 0.0 111.707 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -54.37 -36.83 64.29 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 123.992 3.087 . . . . 0.0 110.321 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -72.04 -52.13 18.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -64.1 -43.67 94.66 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.074 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.3 OUTLIER -47.78 -35.11 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.557 170.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.6 p -68.73 -50.4 51.0 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.232 1.378 . . . . 0.0 109.538 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.83 -43.64 98.25 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.809 0.844 . . . . 0.0 112.411 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 39' ' ' ILE . 9.7 t -59.98 130.07 44.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.468 1.127 . . . . 0.0 110.405 -151.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -79.7 -6.28 56.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.859 1.664 . . . . 0.0 111.755 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -119.15 150.21 40.43 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.89 1.276 . . . . 0.0 108.761 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -34.21 13.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 118.456 -0.783 . . . . 0.0 113.055 -170.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -78.38 91.9 4.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 117.207 -1.377 . . . . 0.0 110.441 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -83.14 98.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.54 132.66 39.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.615 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.2 mm? -122.83 110.51 15.54 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.332 -169.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -100.06 126.87 46.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.48 1.912 . . . . 0.0 111.282 -170.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.84 18.91 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.911 0.884 . . . . 0.0 113.026 -169.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.0 p -63.03 -25.01 68.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.538 -0.726 . . . . 0.0 112.116 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -78.95 -41.16 29.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.75 -1.219 . . . . 0.0 109.994 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -73.09 112.78 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 125.168 1.387 . . . . 0.0 110.297 -166.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -108.42 -26.95 10.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -167.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -110.69 171.32 7.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.069 1.747 . . . . 0.0 107.704 167.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.426 ' HG3' HG23 ' A' ' 23' ' ' ILE . 13.4 ttt -160.59 119.97 2.7 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.285 1.034 . . . . 0.0 109.103 170.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -84.79 166.97 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.302 1.041 . . . . 0.0 110.444 170.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.418 ' HA ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -44.17 -38.23 3.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.699 2.0 . . . . 0.0 112.759 161.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.27 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.283 0.633 . . . . 0.0 110.755 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.24 -59.06 8.31 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.55 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.57 -41.39 96.31 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.0 -171.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.66 -22.92 48.21 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.02 0.827 . . . . 0.0 113.268 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -100.36 -12.73 19.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 126.665 1.986 . . . . 0.0 110.239 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -96.73 -42.24 8.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.039 0.936 . . . . 0.0 110.037 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.67 -26.97 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.169 -1.582 . . . . 0.0 111.538 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.57 -35.88 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.905 1.282 . . . . 0.0 111.297 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.0 mm -69.57 -27.23 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.297 -173.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -49.9 64.49 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.12 1.327 . . . . 0.0 108.572 170.324 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -65.56 -64.13 0.93 Allowed 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 -41.54 4.57 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.111 1.364 . . . . 0.0 113.73 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -60.76 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.915 0.886 . . . . 0.0 109.266 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.43 -41.37 60.76 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 0.0 112.102 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.42 -43.07 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 128.702 2.801 . . . . 0.0 108.437 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -93.21 6.01 49.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.828 1.251 . . . . 0.0 112.068 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.52 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.847 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -105.74 168.74 8.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.74 1.616 . . . . 0.0 109.71 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -116.22 165.77 12.79 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.568 1.547 . . . . 0.0 110.373 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -150.23 124.91 9.73 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.211 1.004 . . . . 0.0 108.714 -169.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 102' ' ' LYS . 57.1 mt -142.56 144.73 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.56 154.15 19.1 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 119.722 1.146 . . . . 0.0 110.133 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 p -141.93 163.83 31.82 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.14 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.97 49.95 3.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.399 1.88 . . . . 0.0 113.48 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 103' ' ' ILE . 13.3 mt -75.23 151.95 38.37 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.698 -1.251 . . . . 0.0 109.541 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -94.62 153.52 17.8 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.833 0.453 . . . . 0.0 110.564 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.73 -16.63 64.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.653 1.181 . . . . 0.0 112.66 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -88.42 -8.32 55.16 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.764 -0.585 . . . . 0.0 111.804 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.78 -41.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.46 1.504 . . . . 0.0 107.952 -161.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -46.81 78.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -57.43 -39.55 76.45 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 124.545 1.138 . . . . 0.0 111.142 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.2 -50.15 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.57 -51.1 71.34 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -49.64 -54.16 20.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.284 1.034 . . . . 0.0 110.805 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.63 -52.81 53.81 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.201 2.2 . . . . 0.0 109.645 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -68.86 4.39 1.51 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.66 32.45 22.18 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.347 1.459 . . . . 0.0 110.978 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.78 19.33 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.697 -1.252 . . . . 0.0 109.817 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.81 62.98 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.019 -1.676 . . . . 0.0 112.334 -175.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -63.73 -16.5 61.28 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.017 1.327 . . . . 0.0 113.18 170.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.9 pt -142.95 -0.79 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.833 1.253 . . . . 0.0 111.786 -159.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -113.45 -169.61 1.53 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.672 2.789 . . . . 0.0 108.028 174.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 80' ' ' ILE . 27.7 tttt -140.6 137.22 33.49 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.843 -1.075 . . . . 0.0 108.399 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -133.81 136.21 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 124.332 1.02 . . . . 0.0 109.116 -169.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -134.89 -169.75 2.42 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.092 0.957 . . . . 0.0 111.46 170.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.71 -44.99 3.73 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 125.968 1.707 . . . . 0.0 109.963 -171.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -117.63 149.64 40.36 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.4 m -55.0 -27.63 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.126 0.97 . . . . 0.0 111.042 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.85 -35.98 82.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -12.37 58.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.631 1.572 . . . . 0.0 112.84 -177.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 C-N-CA 125.474 1.51 . . . . 0.0 109.375 176.864 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.5 100.5 0.51 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.323 -1.485 . . . . 0.0 111.447 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 46.0 51.0 11.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.531 1.932 . . . . 0.0 112.467 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 27' ' ' ASN . 21.7 tp -51.24 100.51 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 127.82 2.448 . . . . 0.0 112.615 -174.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -177.19 -179.54 0.89 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.074 2.15 . . . . 0.0 108.98 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.865 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.7 157.14 24.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.911 2.084 . . . . 0.0 108.372 -178.6 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -107.98 -51.38 2.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.675 0.75 . . . . 0.0 112.238 -168.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.6 mt 67.98 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 129.366 3.067 . . . . 0.0 113.032 168.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -142.42 101.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 127.768 2.427 . . . . 0.0 107.844 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -71.4 106.79 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 120.228 -1.545 . . . . 0.0 106.952 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -79.25 -158.66 0.16 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -65.59 -47.82 74.43 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.02 -1.05 . . . . 0.0 109.81 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -135.9 -9.11 2.09 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.038 2.135 . . . . 0.0 111.334 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.28 127.67 48.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.648 1.979 . . . . 0.0 108.379 -167.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -85.7 107.05 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.68 109.17 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.58 97.55 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 167.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -74.78 133.72 41.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 166.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.8 t -107.87 145.4 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -123.01 141.22 52.2 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.454 1.502 . . . . 0.0 107.222 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.62 146.69 21.09 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-O 123.47 1.594 . . . . 0.0 111.925 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.04 143.95 37.03 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.964 2.105 . . . . 0.0 106.977 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -110.05 125.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.889 0.852 . . . . 0.0 111.943 -153.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -161.13 -171.02 2.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.129 1.372 . . . . 0.0 110.394 -163.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.11 60.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.865 2.066 . . . . 0.0 114.813 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.18 -17.59 56.62 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.682 1.583 . . . . 0.0 110.432 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' A' ' 4' ' ' LEU . 20.6 t-20 -109.56 -11.64 14.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.851 1.26 . . . . 0.0 110.614 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -66.85 -6.18 15.33 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.91 1.684 . . . . 0.0 112.993 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -120.09 -31.08 4.52 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.688 162.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.26 -69.88 0.26 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.409 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.99 -41.55 47.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.352 0.978 . . . . 0.0 110.772 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' HD11 ' A' ' 68' ' ' ILE . 35.3 ttpt -52.34 -57.27 10.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.931 0.492 . . . . 0.0 110.112 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.13 -49.29 72.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.724 1.209 . . . . 0.0 109.888 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' HD11 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -65.36 -7.34 13.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.658 1.583 . . . . 0.0 112.389 -175.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.5 mt -104.69 -53.16 2.74 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-O 116.477 -1.725 . . . . 0.0 109.39 169.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 -62.39 -34.93 77.69 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 123.092 2.678 . . . . 0.0 111.199 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -79.16 -19.67 50.41 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.943 1.297 . . . . 0.0 110.901 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -84.94 -62.28 1.58 Allowed 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 116.036 -1.935 . . . . 0.0 109.121 173.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -43.46 -37.11 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.362 1.465 . . . . 0.0 112.842 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -57.07 -32.09 65.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.168 0.587 . . . . 0.0 111.638 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.68 -42.93 7.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.47 1.908 . . . . 0.0 107.984 -174.128 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 m -45.13 112.79 0.48 Allowed 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 126.507 1.923 . . . . 0.0 114.747 -163.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -68.82 -7.26 32.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.98 1.712 . . . . 0.0 113.991 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 73.1 mmtt -121.19 108.55 13.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -166.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.41 -36.5 82.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.013 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -77.13 90.84 3.66 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.52 95.53 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 107' ' ' VAL . 1.4 t -80.74 144.79 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.631 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.21 151.28 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.491 1.116 . . . . 0.0 108.296 168.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -129.82 121.02 25.95 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.361 1.864 . . . . 0.0 108.463 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.29 18.02 14.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.665 1.586 . . . . 0.0 112.483 -168.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -34.43 10.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.511 1.924 . . . . 0.0 111.875 174.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -91.93 -2.48 56.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.379 1.872 . . . . 0.0 113.998 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.13 84.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.011 1.278 . . . . 0.0 107.819 -164.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -18.83 57.25 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 118.146 -0.93 . . . . 0.0 112.276 -173.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -138.4 152.13 48.11 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.032 1.333 . . . . 0.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ttt -147.54 124.12 11.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.685 1.594 . . . . 0.0 107.191 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -89.67 171.19 9.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.6 m -44.95 -18.02 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.695 2.798 . . . . 0.0 113.505 160.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 -48.43 52.97 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.734 1.214 . . . . 0.0 109.933 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.86 -47.72 89.1 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-O 122.203 0.891 . . . . 0.0 112.692 -166.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.54 -42.04 92.37 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.588 -0.948 . . . . 0.0 110.201 -174.675 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.12 72.87 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.229 1.395 . . . . 0.0 112.106 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.3 m -88.49 -22.15 23.8 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 125.77 1.628 . . . . 0.0 109.059 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.0 mt -87.72 -47.3 8.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.794 0.725 . . . . 0.0 110.938 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.6 -26.69 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 120.915 -1.116 . . . . 0.0 112.301 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.81 -31.66 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 121.386 -0.821 . . . . 0.0 111.15 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 32' ' ' LYS . 6.0 mm -81.48 -29.22 10.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 126.581 1.952 . . . . 0.0 110.156 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.05 -32.31 61.8 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.804 -1.185 . . . . 0.0 109.644 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -68.08 -63.27 1.09 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.017 160.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -49.26 -38.56 27.29 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.386 1.903 . . . . 0.0 114.343 -168.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.83 -57.78 11.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.504 1.122 . . . . 0.0 108.825 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -52.08 -34.05 42.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.756 1.623 . . . . 0.0 112.978 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.74 -44.3 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 120.724 1.602 . . . . 0.0 109.143 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -95.34 14.05 23.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.592 1.157 . . . . 0.0 111.761 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.34 19.16 52.17 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.754 1.645 . . . . 0.0 113.93 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.99 153.99 28.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.63 178.25 8.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.22 1.808 . . . . 0.0 110.393 176.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -159.58 131.49 6.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.457 -0.777 . . . . 0.0 110.668 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.401 HG23 ' HG2' ' A' ' 102' ' ' LYS . 85.3 mt -142.12 149.88 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.184 1.794 . . . . 0.0 107.423 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -113.78 138.65 49.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.439 1.096 . . . . 0.0 108.096 169.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 167.79 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.729 0.811 . . . . 0.0 112.541 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 50.13 38.37 16.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.43 2.292 . . . . 0.0 112.112 -169.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.592 HD12 HG23 ' A' ' 103' ' ' ILE . 14.0 mt -68.75 116.92 9.81 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.994 1.718 . . . . 0.0 109.914 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -61.89 144.08 55.47 Favored 'General case' 0 CA--C 1.493 -1.238 0 C-N-CA 124.487 1.115 . . . . 0.0 112.044 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.85 -25.93 68.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.969 -170.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 m -90.93 -7.15 52.91 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mm -104.1 -32.09 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.485 1.514 . . . . 0.0 108.689 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 m -61.48 -48.84 79.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.72 -44.21 63.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.044 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -47.53 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 108.604 -170.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.89 -51.63 66.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -41.63 73.96 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 119.151 0.887 . . . . 0.0 112.233 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 mt -63.71 -57.36 10.24 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 -170.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -71.32 -8.32 52.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.242 1.417 . . . . 0.0 113.058 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 95.2 8.54 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 130.806 3.642 . . . . 0.0 112.812 169.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.45 -33.06 70.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 120.581 -1.325 . . . . 0.0 113.021 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -18.36 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 119.455 1.025 . . . . 0.0 112.193 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -8.19 59.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.402 1.001 . . . . 0.0 113.354 171.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -134.89 8.7 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.797 1.239 . . . . 0.0 111.687 -167.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -129.0 176.38 7.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.532 2.733 . . . . 0.0 108.598 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HG2' HG23 ' A' ' 80' ' ' ILE . 47.8 tttt -114.21 140.12 48.82 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 124.054 0.941 . . . . 0.0 109.77 170.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG23 HD12 ' A' ' 84' ' ' LEU . 4.7 mp -131.89 135.07 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 O-C-N 125.291 1.619 . . . . 0.0 107.727 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 p -141.58 176.63 8.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.303 2.241 . . . . 0.0 108.942 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 -53.41 4.9 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.929 1.292 . . . . 0.0 109.975 -172.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -122.32 154.92 36.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -167.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 48' ' ' VAL . 34.4 m -67.57 -17.99 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.998 0.904 . . . . 0.0 110.102 171.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.48 -45.2 92.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.119 166.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -17.3 52.24 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.998 1.726 . . . . 0.0 112.665 -172.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.873 0.469 . . . . 0.0 111.567 -174.333 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpt . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -150.73 71.86 1.06 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.641 1.576 . . . . 0.0 108.659 -172.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -154.45 38.11 0.43 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.231 1.412 . . . . 0.0 110.168 173.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.317 0.0 OUTLIER 68.19 144.21 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.585 2.354 . . . . 0.0 110.825 -166.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.51 153.9 20.04 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 120.335 -1.478 . . . . 0.0 112.694 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.92 136.84 46.08 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -54.61 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.9 mt 65.38 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 129.484 3.113 . . . . 0.0 112.645 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.03 89.54 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 126.136 1.775 . . . . 0.0 106.793 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 113.06 2.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 167.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.35 -142.36 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.58 -65.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 126.985 2.114 . . . . 0.0 108.797 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -137.3 -2.57 2.01 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.922 1.689 . . . . 0.0 111.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -100.47 133.75 44.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.314 2.646 . . . . 0.0 108.065 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -96.16 101.44 13.09 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.92 126.7 36.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 105.774 -1.935 . . . . 0.0 105.774 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.75 90.82 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 1.3 mtt85 -76.68 117.45 18.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.35 142.12 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 57.8 mt-30 -116.24 152.21 34.24 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.206 1.002 . . . . 0.0 110.023 172.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 83.98 159.64 29.41 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.821 1.676 . . . . 0.0 112.906 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.22 155.56 40.47 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.412 1.885 . . . . 0.0 107.483 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 57' ' ' MET 0.259 1.0 OUTLIER -109.65 59.73 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 123.144 1.449 . . . . 0.0 108.31 -160.855 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -174.91 2.76 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.272 1.429 . . . . 0.0 109.992 -171.673 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.68 -19.69 2.56 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 119.542 -1.974 . . . . 0.0 113.916 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -62.25 -37.21 84.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.943 1.297 . . . . 0.0 111.553 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -17.77 41.74 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 120.966 -1.084 . . . . 0.0 109.748 175.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -60.73 -10.52 5.51 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -171.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 p -120.64 -23.52 6.01 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.739 154.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.12 -68.63 0.35 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 121.032 1.742 . . . . 0.0 109.873 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.5 -35.75 70.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 119.623 -1.923 . . . . 0.0 111.293 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.12 -49.69 76.66 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.892 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.02 -46.09 82.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.905 1.229 . . . . 0.0 109.116 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.81 -5.55 44.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.404 1.082 . . . . 0.0 111.098 -169.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.9 mt -112.71 -46.17 3.16 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 115.961 -1.971 . . . . 0.0 110.061 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -56.59 -41.71 77.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 121.618 2.008 . . . . 0.0 109.561 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -68.59 -43.01 77.41 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.25 92.63 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.907 1.283 . . . . 0.0 110.707 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -34.11 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.666 1.121 . . . . 0.0 111.926 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -54.07 32.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.692 0.797 . . . . 0.0 110.202 170.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.6 m -60.08 -34.22 73.16 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 t -66.54 117.33 8.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.998 1.38 . . . . 0.0 110.671 -157.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -30.16 69.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.559 1.943 . . . . 0.0 110.623 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 3.2 mptt -90.44 172.69 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.088 1.755 . . . . 0.0 108.302 -174.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HE3' ' HE2' ' A' ' 77' ' ' LYS . 5.3 mmtp -118.18 -32.03 4.83 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -91.26 99.79 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.644 -1.169 . . . . 0.0 109.956 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mm -90.15 109.32 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.02 102.36 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.546 1.539 . . . . 0.0 108.795 -169.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HB2' HD23 ' A' ' 81' ' ' LEU . 2.8 mm? -89.37 112.2 23.24 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.635 1.174 . . . . 0.0 111.04 -173.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 22.8 t0 -93.13 133.32 36.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.857 2.063 . . . . 0.0 110.318 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 HG21 ' A' ' 54' ' ' VAL . 3.3 mm? -124.1 20.42 9.04 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.8 p -58.49 -27.29 64.31 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.948 -1.095 . . . . 0.0 112.627 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.1 -36.49 74.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.969 0.908 . . . . 0.0 111.614 174.332 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' GLY . 45.7 t -92.7 97.13 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.514 1.126 . . . . 0.0 108.036 -148.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -90.72 -22.81 20.92 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.436 1.495 . . . . 0.0 112.879 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -130.35 150.45 51.58 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.519 1.128 . . . . 0.0 109.182 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.523 ' HG3' HG23 ' A' ' 23' ' ' ILE . 3.8 ttt -140.11 136.3 33.42 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.344 1.458 . . . . 0.0 108.52 172.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -110.26 175.88 5.26 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.465 0.65 . . . . 0.0 109.589 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -64.9 -6.39 8.24 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.3 -22.5 26.73 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.26 1.846 . . . . 0.0 109.785 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.95 -66.59 2.71 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 124.604 2.224 . . . . 0.0 109.636 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.75 -28.19 67.16 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 119.155 -2.379 . . . . 0.0 112.363 -178.136 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.93 -7.8 85.06 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 128.683 3.039 . . . . 0.0 112.481 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -89.7 -54.09 4.22 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 127.395 2.278 . . . . 0.0 105.775 165.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.17 -44.58 94.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.828 -0.545 . . . . 0.0 111.907 -169.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.96 -20.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.2 t -69.89 -40.02 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.02 -25.72 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -55.6 -18.63 8.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.082 0.953 . . . . 0.0 112.099 171.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -99.69 -56.34 2.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 116.22 -1.847 . . . . 0.0 110.06 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.64 -45.04 6.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.219 1.827 . . . . 0.0 112.454 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.17 25.01 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.326 0.65 . . . . 0.0 109.747 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -34.04 62.51 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.228 1.811 . . . . 0.0 112.141 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.76 -41.77 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.862 1.21 . . . . 0.0 109.352 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -99.76 12.65 36.09 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.53 24.9 71.58 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.122 1.344 . . . . 0.0 113.86 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HE2' ' HE3' ' A' ' 45' ' ' LYS . 16.2 mmtt -103.67 159.11 15.89 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 119.338 1.569 . . . . 0.0 109.96 -174.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.43 -174.42 3.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.249 1.02 . . . . 0.0 110.04 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -164.82 127.8 2.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.923 0.889 . . . . 0.0 110.405 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.9 mt -142.77 152.67 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 128.109 2.564 . . . . 0.0 105.783 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 49' ' ' LEU . 62.2 mt -116.85 134.9 54.2 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 171.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.22 162.11 27.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.971 0.891 . . . . 0.0 110.984 171.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 60.19 30.34 19.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.856 1.262 . . . . 0.0 112.936 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 103' ' ' ILE . 13.5 mt -63.54 144.84 56.66 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -77.73 153.25 33.14 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.52 -33.87 71.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.376 0.608 . . . . 0.0 109.418 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -59.49 -17.48 32.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.334 1.054 . . . . 0.0 111.817 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mm -120.33 -41.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.877 2.471 . . . . 0.0 107.25 -165.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.2 m -56.76 -49.25 75.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.829 0.823 . . . . 0.0 109.163 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -54.91 -35.96 64.69 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.589 0.756 . . . . 0.0 112.429 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -47.86 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -171.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.22 -54.21 43.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -52.28 -51.96 55.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.656 0.783 . . . . 0.0 111.209 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.163 0.985 . . . . 0.0 112.101 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.37 16.45 16.82 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 0.0 112.069 175.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 m80 52.99 23.41 2.89 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 128.353 2.661 . . . . 0.0 114.082 -173.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -33.68 46.62 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.031 0.832 . . . . 0.0 111.733 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.38 84.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.267 0.939 . . . . 0.0 110.013 -173.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.69 -10.84 40.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -124.82 -0.11 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.181 1.355 . . . . 0.0 111.712 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -124.68 -179.96 4.73 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 127.117 2.167 . . . . 0.0 108.569 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -123.06 131.42 53.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 124.668 1.187 . . . . 0.0 108.663 173.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -128.01 129.41 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -133.25 173.1 11.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.009 1.724 . . . . 0.0 108.048 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -45.48 8.23 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.395 1.478 . . . . 0.0 109.331 -162.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.7 p -129.99 150.99 51.02 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.35 -41.06 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.79 -38.56 34.84 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.29 1.436 . . . . 0.0 112.668 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -70.14 -29.46 66.39 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.376 -0.828 . . . . 0.0 112.792 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.85 0 C-N-CA 123.478 0.711 . . . . 0.0 110.318 -172.019 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 m120 25.44 58.65 0.05 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 129.57 3.148 . . . . 0.0 114.082 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -151.21 80.11 1.3 Allowed 'General case' 0 C--O 1.239 0.52 0 N-CA-C 104.616 -2.364 . . . . 0.0 104.616 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.464 HD22 ' O ' ' A' ' 20' ' ' GLN . 2.2 tm? 56.86 146.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 129.936 3.295 . . . . 0.0 112.377 -175.256 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -167.72 -177.92 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.3 1.84 . . . . 0.0 110.419 162.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.831 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -119.12 151.63 37.95 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 128.679 2.791 . . . . 0.0 106.461 169.7 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -47.19 3.42 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 123.135 0.574 . . . . 0.0 111.376 -172.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt 73.03 127.38 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 129.132 2.973 . . . . 0.0 112.349 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -146.78 74.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.108 2.963 . . . . 0.0 104.587 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -61.92 104.3 0.44 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.57 -1.331 . . . . 0.0 107.706 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -79.08 -157.62 0.13 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 108.523 175.693 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.17 -48.56 28.44 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.864 1.211 . . . . 0.0 112.388 -170.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -118.86 -10.14 9.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.046 0.939 . . . . 0.0 112.266 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.48 114.41 18.11 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.826 1.65 . . . . 0.0 108.592 -161.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.6 98.49 10.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.7 mt -85.32 118.98 33.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 118.232 -1.387 . . . . 0.0 107.608 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.82 93.96 3.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 126.418 1.887 . . . . 0.0 106.182 170.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -73.67 130.02 39.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -98.74 140.87 17.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' HD22 ' A' ' 4' ' ' LEU . 54.9 mt-30 -117.18 142.09 47.47 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.942 1.297 . . . . 0.0 110.728 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.5 161.07 34.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 156.99 18.45 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 125.752 1.621 . . . . 0.0 110.414 165.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 tt -116.03 135.13 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.684 1.994 . . . . 0.0 108.57 -174.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 45.8 p30 -166.83 -162.88 0.51 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.673 1.589 . . . . 0.0 112.555 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.05 -23.95 3.45 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.774 2.029 . . . . 0.0 115.394 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -82.05 -36.51 27.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.719 1.6 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' HB3' ' H ' ' A' ' 24' ' ' ASP . 0.2 OUTLIER -71.26 -26.05 62.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.124 1.37 . . . . 0.0 109.01 175.337 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -57.93 -14.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.395 1.478 . . . . 0.0 112.376 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -118.29 -31.01 5.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.9 158.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -59.84 -69.07 0.23 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 119.629 1.104 . . . . 0.0 110.395 -174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.95 -34.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.54 -0.725 . . . . 0.0 111.439 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -58.3 -49.82 75.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.05 -51.05 61.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.039 0.836 . . . . 0.0 109.783 177.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.36 1.03 4.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.328 1.851 . . . . 0.0 112.187 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.9 mt -117.02 -44.12 2.82 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 115.558 -2.163 . . . . 0.0 109.738 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -66.95 -40.97 87.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 122.979 2.627 . . . . 0.0 110.297 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -74.69 -34.4 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.219 0.608 . . . . 0.0 109.744 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.87 -43.76 78.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.749 173.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.518 ' HA ' HG22 ' A' ' 42' ' ' THR . 10.3 mt -54.75 -45.26 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 119.263 0.938 . . . . 0.0 111.423 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -50.47 -47.59 57.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.71 0.686 . . . . 0.0 109.739 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.9 m -76.5 -44.88 33.34 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.689 0.796 . . . . 0.0 112.637 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.2 t -59.53 133.8 56.43 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.545 1.164 . . . . 0.0 111.222 -156.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 -11.33 57.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 110.854 -171.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HE3' ' O ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -116.83 170.76 8.37 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 127.213 2.205 . . . . 0.0 109.154 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -120.34 -31.4 4.37 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.524 -1.227 . . . . 0.0 113.673 -168.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.3 92.03 5.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.394 -1.289 . . . . 0.0 108.589 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.2 mm -85.3 105.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -98.99 135.56 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.24 107.92 13.12 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 118.917 0.781 . . . . 0.0 109.935 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.53 116.16 27.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.137 1.775 . . . . 0.0 109.376 -175.345 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 54' ' ' VAL . 2.9 mm? -101.16 22.35 12.5 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 121.228 1.831 . . . . 0.0 113.255 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.2 p -57.97 -29.18 65.01 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.48 1.112 . . . . 0.0 112.742 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.06 -18.36 21.08 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.199 -0.938 . . . . 0.0 111.334 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.677 HG21 HD12 ' A' ' 51' ' ' LEU . 25.5 t -78.11 107.06 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -173.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.7 m -108.45 -19.79 13.33 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.077 -167.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.79 149.57 52.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 168.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -145.4 154.11 41.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.47 179.43 6.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.357 1.863 . . . . 0.0 108.336 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -61.49 -17.27 53.85 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.56 98.53 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.537 0.735 . . . . 0.0 110.491 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.91 -54.03 41.37 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 125.434 1.492 . . . . 0.0 110.949 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -42.59 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.61 -175.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.12 -10.28 33.11 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.744 1.164 . . . . 0.0 113.627 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -104.95 -36.93 7.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 126.772 2.029 . . . . 0.0 108.879 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.36 -44.78 74.46 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 119.232 0.924 . . . . 0.0 110.284 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.38 -23.87 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.95 1.25 . . . . 0.0 113.517 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.26 -43.84 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.432 0.693 . . . . 0.0 109.46 168.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 18.1 mm -71.14 -20.01 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 125.147 1.379 . . . . 0.0 111.752 -175.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.05 -56.14 25.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.39 1.45 . . . . 0.0 108.158 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.98 -60.09 3.97 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 116.528 -1.701 . . . . 0.0 109.717 168.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 36.9 m-20 -58.15 -35.19 71.18 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.931 2.15 . . . . 0.0 112.585 -167.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.98 -54.46 45.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.289 1.035 . . . . 0.0 109.768 170.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.55 -37.54 40.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.082 1.353 . . . . 0.0 112.001 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.86 -37.66 61.56 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 120.158 1.345 . . . . 0.0 109.078 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.54 18.58 21.94 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 118.642 0.655 . . . . 0.0 112.073 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 35.57 92.26 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.621 1.105 . . . . 0.0 113.275 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -109.28 157.9 18.39 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.619 1.21 . . . . 0.0 109.041 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 79' ' ' PHE . 7.9 tp10 -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.206 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.427 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 20.0 t80 -167.47 114.81 0.76 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.112 -0.992 . . . . 0.0 110.315 -170.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.6 mt -139.58 147.34 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.2 mt -107.67 148.16 29.75 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.082 1.353 . . . . 0.0 108.374 172.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.46 168.27 23.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.445 1.098 . . . . 0.0 111.09 174.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m 46.29 70.88 0.34 Allowed 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.12 1.768 . . . . 0.0 114.92 -170.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 171.43 9.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.828 0.823 . . . . 0.0 109.244 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -110.58 157.15 19.98 Favored 'General case' 0 CA--C 1.486 -1.505 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.83 -31.56 72.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.328 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.46 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 1.4 m -72.33 -15.8 61.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -115.95 -40.01 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.067 1.347 . . . . 0.0 108.229 -164.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -59.43 -51.09 71.37 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 87' ' ' SER . 1.2 ptm180 -57.27 -32.59 66.76 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 116.803 -1.57 . . . . 0.0 112.136 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -46.85 83.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.31 -45.96 92.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -56.55 -53.24 59.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.796 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.79 -53.68 18.2 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.861 2.065 . . . . 0.0 109.387 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.38 7.96 10.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 59.97 28.15 17.64 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 127.697 2.399 . . . . 0.0 113.413 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.12 -37.1 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.457 1.503 . . . . 0.0 110.633 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -34.91 78.97 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.249 0.931 . . . . 0.0 109.85 -172.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -24.24 67.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 175.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 pt -115.08 -4.79 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.708 1.203 . . . . 0.0 111.197 -166.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.55 -176.73 2.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.544 2.338 . . . . 0.0 105.979 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -126.46 133.97 51.07 Favored 'General case' 0 CA--C 1.504 -0.789 0 O-C-N 121.133 -0.98 . . . . 0.0 108.429 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.56 137.94 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.32 179.84 6.08 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.431 2.292 . . . . 0.0 107.624 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -46.3 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 123.743 0.817 . . . . 0.0 109.694 -172.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.1 p -129.67 148.17 51.53 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.36 -17.32 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.566 -0.709 . . . . 0.0 111.008 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -45.48 92.41 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.144 1.778 . . . . 0.0 113.806 166.437 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.87 -16.14 62.68 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.404 1.457 . . . . 0.0 112.492 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 C-N-CA 124.99 1.316 . . . . 0.0 110.318 -177.13 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -72.39 -62.4 1.45 Allowed 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -154.13 102.91 2.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 172.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 4' ' ' LEU . 1.1 tm? -64.03 136.37 57.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 168.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt 154.11 -160.42 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 130.252 3.421 . . . . 0.0 107.617 -165.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -116.77 -177.15 3.12 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 128.342 2.657 . . . . 0.0 108.931 -171.414 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.64 -39.25 2.01 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.639 1.176 . . . . 0.0 111.292 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt 54.62 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 130.193 3.397 . . . . 0.0 114.281 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.29 88.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 126.706 2.002 . . . . 0.0 107.917 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.07 117.17 14.48 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.31 -139.78 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.498 1.119 . . . . 0.0 108.347 -175.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.75 -53.76 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.944 -1.097 . . . . 0.0 111.707 171.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -135.01 -2.31 2.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.859 0.754 . . . . 0.0 112.93 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -107.31 140.46 40.18 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.942 1.297 . . . . 0.0 107.763 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -102.22 105.15 15.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.457 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 10.3 mt -79.62 126.46 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.69 81.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 36.1 mtt-85 -58.83 133.76 56.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.621 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 160.26 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.641 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.527 ' O ' HD22 ' A' ' 4' ' ' LEU . 12.8 mt-30 -131.68 149.0 52.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.976 2.11 . . . . 0.0 107.897 161.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 90.67 161.62 37.57 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 124.36 0.981 . . . . 0.0 112.245 173.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.83 154.56 40.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.557 1.143 . . . . 0.0 108.309 169.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG13 HD22 ' A' ' 27' ' ' ASN . 10.3 tt -116.32 103.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 124.755 1.222 . . . . 0.0 111.289 -173.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -150.53 -171.48 3.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.15 1.38 . . . . 0.0 111.533 -164.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.06 -25.41 1.41 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.157 2.183 . . . . 0.0 114.771 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -87.26 -32.87 19.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.343 0.974 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.527 HD22 HG13 ' A' ' 23' ' ' ILE . 63.9 t30 -80.34 -14.14 58.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.215 1.006 . . . . 0.0 109.858 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -9.27 2.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.58 -27.32 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 116.691 -1.624 . . . . 0.0 111.915 163.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -75.2 0.08 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.586 1.084 . . . . 0.0 109.649 -174.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.85 -31.63 68.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.014 -1.054 . . . . 0.0 111.985 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HB2' HG23 ' A' ' 64' ' ' THR . 33.6 ttmt -55.96 -58.01 9.68 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.428 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.76 -49.84 74.79 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.428 1.091 . . . . 0.0 109.785 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 6' ' ' LEU . 13.1 mm-40 -67.22 -6.27 17.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 110.907 -172.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 mt -106.99 -54.5 2.46 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 113.974 -2.917 . . . . 0.0 111.693 168.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -52.26 -36.68 53.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 125.947 3.976 . . . . 0.0 110.963 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -68.69 -46.23 69.59 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -70.62 -40.75 72.96 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.184 -1.389 . . . . 0.0 112.913 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.08 -32.97 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 121.621 2.009 . . . . 0.0 112.952 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 t -65.2 -55.6 17.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.485 1.039 . . . . 0.0 108.856 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.1 m -65.47 -36.55 84.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.249 1.019 . . . . 0.0 112.419 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -57.44 115.79 2.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 122.151 0.977 . . . . 0.0 110.719 -159.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -25.88 68.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.636 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 40.5 mttp -102.97 171.89 7.13 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.134 0.973 . . . . 0.0 110.319 -169.53 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -118.31 -30.67 5.18 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 117.012 -1.47 . . . . 0.0 113.013 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.93 134.23 48.17 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 116.003 -2.279 . . . . 0.0 108.32 164.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.48 103.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 63.1 t -103.29 112.14 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.205 1.802 . . . . 0.0 107.784 -168.627 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.35 106.31 13.5 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.349 0.595 . . . . 0.0 111.135 -165.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.584 ' HB3' ' HA ' ' A' ' 18' ' ' ARG 0.318 1.8 t70 -78.5 138.52 38.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 115.889 -2.005 . . . . 0.0 111.793 -176.043 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.723 HD12 HG21 ' A' ' 54' ' ' VAL . 2.0 mm? -119.6 26.18 9.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -62.26 -32.5 73.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.274 -0.892 . . . . 0.0 112.581 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.99 -8.28 58.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.118 0.872 . . . . 0.0 111.947 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.723 HG21 HD12 ' A' ' 51' ' ' LEU . 38.4 t -92.16 97.07 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -172.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 m -87.08 -15.41 38.6 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -141.77 146.33 35.83 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.85 0.86 . . . . 0.0 109.582 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.414 ' HA ' HG23 ' A' ' 23' ' ' ILE . 12.7 ttt -134.54 135.55 42.41 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 174.263 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -105.83 173.14 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.768 0.668 . . . . 0.0 109.408 167.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -22.75 13.81 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.595 -0.69 . . . . 0.0 112.494 167.633 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.97 89.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.572 1.149 . . . . 0.0 109.012 174.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' HA3' HG12 ' A' ' 23' ' ' ILE . . . -59.73 -47.66 89.86 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 124.991 1.282 . . . . 0.0 112.446 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.18 -55.71 31.16 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 -178.609 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.69 -12.68 28.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 126.773 2.13 . . . . 0.0 114.675 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 32' ' ' LYS . 68.6 m -102.56 -16.93 15.95 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 125.685 1.594 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.41 -51.21 4.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.749 1.22 . . . . 0.0 109.005 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.65 -30.73 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.64 1.109 . . . . 0.0 112.098 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.19 -40.87 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.155 169.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.05 -21.67 25.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 C-N-CA 125.017 1.327 . . . . 0.0 110.263 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -57.88 -41.92 83.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.807 1.64 . . . . 0.0 109.467 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -72.12 -63.45 1.14 Allowed 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.42 -44.95 8.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.761 1.625 . . . . 0.0 112.491 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.1 -63.79 1.04 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.417 1.487 . . . . 0.0 110.316 168.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -45.28 -52.31 9.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.889 1.276 . . . . 0.0 111.309 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.61 -35.12 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 128.036 2.534 . . . . 0.0 109.312 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -105.06 7.98 34.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.574 1.15 . . . . 0.0 112.058 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.1 17.91 68.46 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.632 1.587 . . . . 0.0 113.405 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -98.51 159.95 14.61 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 120.958 -1.319 . . . . 0.0 108.937 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -100.73 -177.33 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.651 1.98 . . . . 0.0 109.438 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -159.56 132.8 7.01 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.662 -1.274 . . . . 0.0 109.434 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.7 152.54 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.195 2.198 . . . . 0.0 105.414 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 51' ' ' LEU . 81.5 mt -114.18 154.15 28.36 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.62 0.768 . . . . 0.0 110.193 168.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -140.12 152.57 46.22 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 120.259 1.39 . . . . 0.0 110.2 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.64 40.8 5.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 165.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.48 169.98 14.26 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 124.523 1.129 . . . . 0.0 110.665 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -103.23 157.89 16.69 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.694 167.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.48 -28.91 68.95 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.085 0.865 . . . . 0.0 109.166 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -62.84 -20.16 64.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.274 1.03 . . . . 0.0 112.405 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.89 -41.77 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.174 1.79 . . . . 0.0 107.733 -166.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.5 m -57.83 -45.84 85.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -59.1 -44.24 91.95 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.864 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -169.06 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.74 -44.67 96.38 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.39 -45.9 90.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 118.901 -2.374 . . . . 0.0 112.707 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -37.16 49.41 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.4 1.88 . . . . 0.0 110.748 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.26 62.3 m -102.96 14.88 30.89 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.041 0.936 . . . . 0.0 112.655 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.42 37.33 28.73 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 127.391 2.276 . . . . 0.0 112.142 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -97.08 -36.19 10.57 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.674 1.99 . . . . 0.0 109.815 -170.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.98 88.56 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.832 ' HE2' HG23 ' A' ' 100' ' ' ILE . 1.1 ptmt -56.52 -19.01 13.51 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.832 HG23 ' HE2' ' A' ' 99' ' ' LYS . 6.5 pt -113.5 -2.23 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 126.088 1.755 . . . . 0.0 111.014 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.51 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.2 m-85 -111.2 -171.58 1.86 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.858 2.863 . . . . 0.0 105.936 173.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -132.94 144.27 50.02 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 163.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.65 125.27 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.7 p -111.44 173.84 6.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.811 1.645 . . . . 0.0 108.4 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -53.2 5.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.6 p -110.87 161.37 15.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.65 1.18 . . . . 0.0 107.909 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.04 -22.9 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 165.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -73.47 -26.96 61.15 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.6 -1.26 55.71 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.186 0.903 . . . . 0.0 111.095 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.439 2.296 . . . . 0.0 110.347 177.612 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttt . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -148.64 -179.41 6.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.458 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -128.94 69.23 1.39 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.95 133.03 51.3 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' C ' HD23 ' A' ' 6' ' ' LEU . 32.0 tttt 161.65 177.53 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 131.307 3.843 . . . . 0.0 108.762 -162.235 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -133.21 151.7 51.94 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 127.205 2.202 . . . . 0.0 107.376 166.021 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -41.84 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.43 1.092 . . . . 0.0 110.161 -160.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.424 HG12 HG13 ' A' ' 17' ' ' VAL . 43.8 mt 61.64 115.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 129.378 3.071 . . . . 0.0 114.128 166.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.65 95.33 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 126.386 1.874 . . . . 0.0 108.538 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.63 121.09 15.14 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 120.58 -1.325 . . . . 0.0 107.803 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' CD ' ' H ' ' A' ' 12' ' ' ASP . 6.7 tm0? -84.72 -145.32 0.09 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.379 1.471 . . . . 0.0 107.785 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.58 ' H ' ' CD ' ' A' ' 11' ' ' GLN . 10.0 t70 -59.72 -60.21 4.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.249 1.42 . . . . 0.0 108.68 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 22.5 t0 -144.04 1.79 1.14 Allowed 'General case' 0 CA--C 1.54 0.564 0 O-C-N 125.053 1.471 . . . . 0.0 111.657 -173.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -121.39 143.62 49.11 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.755 2.022 . . . . 0.0 107.591 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.85 109.03 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 118.289 -0.862 . . . . 0.0 108.827 -175.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.435 HG22 ' HD2' ' A' ' 18' ' ' ARG . 50.2 mt -83.68 87.16 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.535 ' HB ' HD13 ' A' ' 49' ' ' LEU . 46.8 t -81.52 85.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 169.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.11 127.4 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.249 -1.759 . . . . 0.0 106.249 167.299 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.7 t -101.16 143.32 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 120.607 1.549 . . . . 0.0 106.879 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -112.74 164.81 12.91 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.424 0.69 . . . . 0.0 109.14 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 74.49 136.17 0.4 Allowed Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.509 2.004 . . . . 0.0 115.135 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -42.4 117.07 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 111.531 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 57' ' ' MET . 5.5 tt -82.23 127.32 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 127.612 2.365 . . . . 0.0 108.909 -171.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -168.76 177.07 5.25 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 120.433 -1.417 . . . . 0.0 110.17 -154.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -22.1 8.8 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.927 0.785 . . . . 0.0 112.165 168.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.44 -45.7 82.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 125.212 1.405 . . . . 0.0 112.333 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.4 HD21 HG13 ' A' ' 23' ' ' ILE . 2.6 p-10 -97.98 -5.36 34.33 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 t -50.88 -26.58 6.01 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.799 1.64 . . . . 0.0 112.056 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -121.8 -7.79 8.99 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.237 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -78.99 -75.59 0.23 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 117.7 -1.143 . . . . 0.0 109.928 166.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -42.57 -45.17 4.47 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.901 1.682 . . . . 0.0 112.684 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 64' ' ' THR . 30.5 ttpt -55.84 -47.28 77.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.315 176.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.32 -43.58 70.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.631 0.65 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -63.31 -10.38 16.0 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.948 1.699 . . . . 0.0 112.175 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -117.21 -39.04 3.25 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 114.27 -2.776 . . . . 0.0 110.998 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -61.69 -41.94 98.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 123.757 2.981 . . . . 0.0 110.678 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -73.69 -39.46 64.37 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -71.44 -36.15 71.16 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -57.82 -31.37 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 120.519 1.508 . . . . 0.0 112.314 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -49.44 62.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.145 171.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -56.13 -48.03 77.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.531 1.059 . . . . 0.0 112.279 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.7 t -67.58 127.02 31.18 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 123.519 1.628 . . . . 0.0 109.399 -147.438 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -76.55 -28.21 56.2 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.45 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG3' ' HA ' ' A' ' 13' ' ' ASP . 3.5 mptt -97.88 148.48 23.38 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.311 1.444 . . . . 0.0 109.647 -175.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -94.5 -43.81 8.17 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.907 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 133.31 55.98 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 116.703 -1.617 . . . . 0.0 107.609 168.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 mm -124.21 105.05 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.26 129.83 51.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.086 1.754 . . . . 0.0 107.485 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.5 mm? -118.51 103.08 9.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.339 0.656 . . . . 0.0 109.886 -170.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.449 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 10.2 t0 -77.07 131.89 38.62 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.966 -1.492 . . . . 0.0 108.261 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD23 HD21 ' A' ' 84' ' ' LEU . 2.5 mm? -112.38 14.22 20.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 121.405 1.911 . . . . 0.0 115.324 175.109 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 p -55.48 -29.46 58.8 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 120.684 -1.26 . . . . 0.0 112.844 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -93.13 9.6 35.25 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.331 1.052 . . . . 0.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 15.1 t -113.16 156.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.21 -28.97 0.19 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 119.607 1.094 . . . . 0.0 112.805 176.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -107.14 154.61 20.92 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.442 1.497 . . . . 0.0 108.481 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.421 ' HA ' HG23 ' A' ' 23' ' ' ILE . 10.8 ttt -147.75 121.66 9.37 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.423 1.077 . . . . 0.0 108.96 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -79.46 167.68 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.107 0.879 . . . . 0.0 110.124 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -46.76 -29.46 1.94 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.18 2.192 . . . . 0.0 111.713 161.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.16 76.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.942 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.94 -58.42 9.47 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 126.043 1.783 . . . . 0.0 111.883 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -68.57 -44.82 73.62 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.566 0.746 . . . . 0.0 109.204 -172.573 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.42 60.63 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.53 1.062 . . . . 0.0 112.721 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 32' ' ' LYS . 17.7 m -90.32 -34.5 15.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 108.339 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.27 -37.27 21.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 118.813 0.733 . . . . 0.0 112.512 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.22 -20.55 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 120.423 -1.423 . . . . 0.0 111.856 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -40.45 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.801 0.84 . . . . 0.0 110.643 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.67 -27.8 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.243 1.417 . . . . 0.0 110.341 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -36.79 38.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.249 1.019 . . . . 0.0 110.001 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -82.14 -59.04 2.7 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 115.398 -2.239 . . . . 0.0 110.997 167.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.15 -49.02 4.89 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 122.281 2.309 . . . . 0.0 112.252 -172.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.91 16.11 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.424 1.49 . . . . 0.0 108.533 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -51.88 -37.55 52.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.373 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.5 mt -58.58 -46.12 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.611 1.551 . . . . 0.0 109.585 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -87.21 14.03 8.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.684 1.129 . . . . 0.0 111.665 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.62 46.57 93.99 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.765 -1.019 . . . . 0.0 110.788 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -116.47 149.72 39.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.962 1.305 . . . . 0.0 109.52 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.44 177.74 8.59 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.071 2.549 . . . . 0.0 110.241 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -160.76 122.66 3.09 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.354 1.062 . . . . 0.0 109.184 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.13 154.04 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 127.75 2.42 . . . . 0.0 107.195 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.7 mt -112.42 157.14 21.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.8 p -141.75 149.57 40.62 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.675 2.39 . . . . 0.0 109.989 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 m 66.74 60.66 0.55 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 170.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD21 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -103.2 170.19 8.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.48 -178.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 19.8 mtmm -141.83 153.78 44.73 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -159.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.92 -28.58 69.03 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.01 0.819 . . . . 0.0 109.919 -170.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 m -81.99 0.68 39.04 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.196 0.999 . . . . 0.0 113.143 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -126.54 -40.39 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.133 1.373 . . . . 0.0 109.923 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.1 p -56.77 -46.38 81.5 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -56.56 -47.43 79.49 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.275 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mt -58.24 -48.61 84.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 120.866 1.666 . . . . 0.0 107.192 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.7 -43.39 93.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.55 -56.97 14.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.282 -1.511 . . . . 0.0 111.76 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.3 mt -45.04 -38.43 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 130.109 3.364 . . . . 0.0 111.666 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 m -97.5 8.31 44.86 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 59.52 24.25 12.96 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 127.755 2.422 . . . . 0.0 113.305 -174.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -82.24 -36.88 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.513 1.925 . . . . 0.0 111.009 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.62 -35.29 80.03 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.362 -0.836 . . . . 0.0 110.298 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -69.76 -6.84 34.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 175.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 pt -127.75 6.76 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.554 1.542 . . . . 0.0 111.025 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.26 -171.73 2.4 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 128.563 2.745 . . . . 0.0 106.804 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.67 139.39 49.06 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 121.556 -0.715 . . . . 0.0 109.306 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.3 mt -134.71 127.49 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -171.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.6 p -117.8 -174.4 2.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.35 2.26 . . . . 0.0 111.567 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -106.19 -59.37 1.79 Allowed 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.831 2.052 . . . . 0.0 106.049 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.2 p -102.21 151.51 22.13 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 t -59.03 -34.92 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 124.846 1.259 . . . . 0.0 108.505 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.345 0.658 . . . . 0.0 111.785 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.22 -0.44 22.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 112.471 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.828 0 C-N-CA 125.211 1.404 . . . . 0.0 109.581 -178.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.2 ttpp . . . . . 0 N--CA 1.443 -0.775 0 CA-C-O 121.219 0.533 . . . . 0.0 109.708 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.68 159.15 28.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.869 2.467 . . . . 0.0 109.039 169.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.42 -38.8 5.38 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.997 -1.065 . . . . 0.0 112.042 -175.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mt 56.54 112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 128.966 2.907 . . . . 0.0 114.753 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.8 t -141.43 105.65 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.894 1.677 . . . . 0.0 109.237 -167.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.58 115.56 9.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 -153.64 0.22 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.1 -54.05 17.01 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.102 0.961 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -138.79 6.58 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.894 1.331 . . . . 0.0 112.095 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -120.47 139.48 52.81 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.533 1.933 . . . . 0.0 107.181 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -108.17 107.42 18.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -175.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.6 mt -86.07 94.77 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-O 122.063 0.935 . . . . 0.0 109.345 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.34 86.15 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 15.8 mtm180 -68.45 139.93 55.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 117.907 -1.517 . . . . 0.0 107.623 169.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.12 154.3 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -132.75 135.96 46.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.964 1.706 . . . . 0.0 109.202 173.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.05 156.95 32.26 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.74 162.24 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.684 1.193 . . . . 0.0 110.513 161.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.42 HG22 ' CG1' ' A' ' 54' ' ' VAL . 3.7 tt -118.48 105.87 18.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.646 1.178 . . . . 0.0 110.722 -159.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -142.63 -160.43 1.1 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.352 1.061 . . . . 0.0 113.637 -169.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 28' ' ' SER . . . -49.18 -32.16 9.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.509 2.324 . . . . 0.0 114.449 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -67.34 -45.92 74.96 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.979 1.263 . . . . 0.0 109.559 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -28.75 69.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.805 0.842 . . . . 0.0 109.384 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -60.49 -15.67 29.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.098 1.499 . . . . 0.0 112.284 -172.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -121.66 -28.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 117.142 -1.409 . . . . 0.0 113.974 154.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.7 -71.55 0.1 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.416 1.462 . . . . 0.0 110.794 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.23 -35.77 67.74 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.401 1.001 . . . . 0.0 110.913 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -56.16 -46.87 79.14 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -65.18 -54.04 35.69 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.516 1.526 . . . . 0.0 111.089 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.578 ' CD ' HD21 ' A' ' 6' ' ' LEU . 12.7 mm-40 -65.59 0.2 1.73 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.822 2.049 . . . . 0.0 112.49 -175.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.9 mt -120.32 -52.25 2.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.957 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -56.98 -35.13 68.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 122.428 2.376 . . . . 0.0 110.514 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -77.74 -43.88 29.51 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.53 -44.1 87.94 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.886 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mt -54.71 -25.01 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 120.276 1.398 . . . . 0.0 113.635 171.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -56.29 6.12 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 171.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 m -55.97 -42.63 76.59 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.856 2.062 . . . . 0.0 112.51 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.479 HG21 HD11 ' A' ' 47' ' ' ILE . 14.9 t -59.03 125.44 23.63 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.426 1.108 . . . . 0.0 111.084 -155.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -31.89 68.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.686 1.195 . . . . 0.0 108.612 170.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 1.5 mptp? -99.77 133.22 44.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 118.955 0.798 . . . . 0.0 110.552 -175.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -77.21 -36.0 55.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.433 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -81.04 89.7 5.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.924 1.238 . . . . 0.0 110.076 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 42' ' ' THR . 18.1 mm -80.01 96.3 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -171.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 t -86.08 136.58 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.82 143.77 34.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 19.1 t70 -118.14 119.37 34.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.103 1.361 . . . . 0.0 110.704 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.5 21.59 14.98 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 123.386 0.674 . . . . 0.0 111.394 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 t -58.31 -29.48 65.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.811 1.244 . . . . 0.0 111.628 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -99.07 3.55 46.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.29 1.436 . . . . 0.0 112.164 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 23' ' ' ILE . 40.7 t -91.97 89.71 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -75.11 -24.95 58.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -142.08 155.8 45.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.075 1.75 . . . . 0.0 107.783 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 ttt -140.73 132.46 27.33 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.784 1.634 . . . . 0.0 109.5 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.54 166.38 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.987 1.715 . . . . 0.0 108.836 169.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -26.72 8.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.275 1.03 . . . . 0.0 112.265 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.12 48.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.733 1.613 . . . . 0.0 109.683 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.42 -64.62 1.52 Allowed Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 126.193 1.854 . . . . 0.0 111.474 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -38.36 77.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.984 -159.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.26 -29.87 75.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.154 0.909 . . . . 0.0 111.862 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -81.56 -23.61 37.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.174 0.99 . . . . 0.0 109.073 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -46.37 9.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 119.63 1.105 . . . . 0.0 110.533 176.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.37 -30.05 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 119.326 0.967 . . . . 0.0 113.259 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.55 -30.88 51.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.638 -1.289 . . . . 0.0 111.165 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.43 -18.03 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.66 0.784 . . . . 0.0 110.049 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.14 -39.67 90.94 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 120.341 -1.474 . . . . 0.0 109.964 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -69.57 -55.54 9.84 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 115.994 -1.955 . . . . 0.0 109.293 168.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 74' ' ' ILE . 89.4 m-20 -50.76 -40.8 55.83 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 122.126 2.239 . . . . 0.0 112.925 -173.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.49 46.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.782 -1.199 . . . . 0.0 109.361 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -16.9 52.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.607 1.963 . . . . 0.0 113.471 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ASP . 75.1 mt -71.1 -29.1 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 120.953 1.706 . . . . 0.0 109.031 170.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -113.45 12.11 18.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.833 0.853 . . . . 0.0 112.99 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.46 51.28 57.38 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.314 1.435 . . . . 0.0 111.514 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -107.19 154.75 20.75 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.836 0.855 . . . . 0.0 109.575 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 173.76 8.94 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.874 1.27 . . . . 0.0 108.35 174.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -155.47 124.63 6.22 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.634 -0.667 . . . . 0.0 111.649 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.78 150.52 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.189 1.796 . . . . 0.0 107.159 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.3 mt -113.02 142.37 45.79 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.56 1.544 . . . . 0.0 107.687 170.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.82 164.11 31.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.096 0.474 . . . . 0.0 111.615 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t 60.94 27.07 16.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 113.41 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 103' ' ' ILE . 25.4 mt -62.91 129.66 41.37 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 120.751 -1.218 . . . . 0.0 110.625 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -66.35 151.54 46.9 Favored 'General case' 0 CA--C 1.492 -1.283 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.285 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -66.74 -28.38 68.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.703 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 t -70.05 -8.86 52.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.163 1.385 . . . . 0.0 113.141 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mm -120.97 -38.44 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 126.156 1.783 . . . . 0.0 108.63 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 m -54.87 -52.91 61.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.9 0.857 . . . . 0.0 108.857 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.27 -37.95 65.3 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.78 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -51.55 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.57 -50.59 71.46 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -56.76 -50.91 70.84 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.953 -1.092 . . . . 0.0 111.834 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 mt -54.05 -53.7 49.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.727 1.611 . . . . 0.0 109.937 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -80.51 18.85 0.86 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.425 1.09 . . . . 0.0 112.118 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 55.37 19.34 3.01 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 127.856 2.462 . . . . 0.0 115.297 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -76.83 -38.47 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.858 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -46.85 88.58 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.126 0.57 . . . . 0.0 109.703 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HE3' HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -57.58 -13.4 3.77 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 176.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' A' ' 99' ' ' LYS . 10.1 pt -125.57 9.75 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.253 1.821 . . . . 0.0 111.398 -174.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.1 m-85 -120.98 -158.09 0.74 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.008 2.123 . . . . 0.0 108.293 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -141.07 133.18 27.88 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 124.935 1.294 . . . . 0.0 108.268 169.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.464 HG23 HD12 ' A' ' 84' ' ' LEU . 4.0 mp -127.75 133.4 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 O-C-N 124.816 1.322 . . . . 0.0 109.257 -176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -133.28 -176.44 4.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.193 1.797 . . . . 0.0 111.195 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.13 -34.93 6.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.936 1.294 . . . . 0.0 111.392 -161.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 49.8 p -128.85 153.27 47.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.144 1.778 . . . . 0.0 106.55 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.16 -22.7 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.489 -1.382 . . . . 0.0 110.692 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.82 -32.11 73.17 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.234 -0.916 . . . . 0.0 112.717 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -2.57 56.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.541 1.064 . . . . 0.0 112.457 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.905 1.682 . . . . 0.0 109.366 172.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mttt . . . . . 0 N--CA 1.471 0.601 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -125.15 165.03 18.98 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 125.875 1.67 . . . . 0.0 108.263 173.307 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -119.59 -39.28 2.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.15 1.38 . . . . 0.0 109.943 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.5 mt 64.35 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 130.38 3.472 . . . . 0.0 114.371 167.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.96 83.18 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 127.586 2.355 . . . . 0.0 106.979 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.89 110.27 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 120.33 -1.481 . . . . 0.0 108.528 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -148.64 0.05 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -80.9 -52.68 7.19 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.28 -1.513 . . . . 0.0 110.986 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.75 -5.12 5.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.974 1.31 . . . . 0.0 112.738 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -113.32 124.57 52.78 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.255 1.822 . . . . 0.0 107.315 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -89.6 99.08 12.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.95 125.67 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.49 HG11 HD22 ' A' ' 6' ' ' LEU . 84.6 t -111.11 93.63 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 168.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.79 120.02 6.69 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 162.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.95 161.29 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 170.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -135.79 145.22 46.29 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.378 1.471 . . . . 0.0 109.591 163.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.52 153.35 29.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 125.202 1.382 . . . . 0.0 110.32 170.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.66 165.44 1.65 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 122.06 0.933 . . . . 0.0 110.071 156.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -130.67 134.13 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.168 0.987 . . . . 0.0 108.658 -167.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -160.39 -173.75 4.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -167.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -19.46 61.49 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.396 1.478 . . . . 0.0 113.708 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.35 -14.98 39.26 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 119.973 1.261 . . . . 0.0 109.774 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -112.14 -14.0 13.46 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.68 1.592 . . . . 0.0 111.189 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -64.43 -4.96 4.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -116.18 -24.44 8.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.403 1.001 . . . . 0.0 111.133 160.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.63 -71.93 0.16 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.085 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.4 tp -51.5 -41.4 60.94 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.009 1.277 . . . . 0.0 110.702 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HA ' HD11 ' A' ' 68' ' ' ILE . 28.9 ttpt -54.82 -50.01 69.63 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.984 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.68 -49.23 78.56 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.555 1.142 . . . . 0.0 112.174 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.506 ' HB3' HD11 ' A' ' 6' ' ' LEU . 3.7 mm-40 -58.31 -16.0 12.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.781 1.632 . . . . 0.0 110.907 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.95 -45.26 2.98 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-O 114.428 -2.701 . . . . 0.0 112.235 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -41.68 64.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 123.974 3.079 . . . . 0.0 110.402 171.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -75.11 -34.9 61.75 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -171.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -73.8 -43.64 58.25 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.318 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' A' ' 42' ' ' THR . 7.1 mt -53.07 -40.02 35.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 120.016 1.28 . . . . 0.0 111.464 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.4 t -53.42 -55.78 22.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.52 1.528 . . . . 0.0 109.244 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.5 m -57.81 -54.62 44.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.326 1.451 . . . . 0.0 112.25 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 39' ' ' ILE 0.251 9.9 t -64.85 136.89 57.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 122.952 1.358 . . . . 0.0 113.618 -136.03 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 m -78.99 -1.4 35.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.904 1.682 . . . . 0.0 113.003 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.665 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 1.1 mptp? -119.47 161.37 20.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.873 -1.142 . . . . 0.0 109.353 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -49.83 3.7 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.995 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HE3' ' CD1' ' A' ' 80' ' ' ILE . 4.6 tttp -74.0 94.07 2.31 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 117.604 -1.188 . . . . 0.0 110.598 -172.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.6 mm -83.78 110.38 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.38 116.42 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.01 1.724 . . . . 0.0 109.74 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 109.31 14.51 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -164.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -91.14 118.69 30.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 127.424 2.289 . . . . 0.0 110.143 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.716 HD21 HD22 ' A' ' 81' ' ' LEU . 1.1 mm? -107.5 23.73 14.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.728 1.604 . . . . 0.0 113.3 -170.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.0 p -58.1 -26.01 62.05 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -86.26 -7.09 58.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.854 1.262 . . . . 0.0 112.045 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -93.11 79.4 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -164.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -72.69 -18.49 61.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.751 1.62 . . . . 0.0 113.509 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -145.38 156.6 43.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.536 1.535 . . . . 0.0 107.426 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttt -143.85 139.61 29.36 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.38 171.81 7.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.144 1.378 . . . . 0.0 108.904 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 m -55.88 -16.55 4.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.019 0.928 . . . . 0.0 113.334 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.78 39.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.895 0.878 . . . . 0.0 111.835 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.62 -49.7 23.22 Favored Glycine 0 C--O 1.224 -0.49 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -169.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -61.18 -45.87 92.83 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.456 1.502 . . . . 0.0 109.958 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.7 47.62 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.673 1.606 . . . . 0.0 114.021 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.2 m -100.41 -47.05 5.04 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.568 2.347 . . . . 0.0 107.283 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 mt -57.58 -46.44 83.98 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 120.262 1.392 . . . . 0.0 110.195 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.71 -25.88 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.6 -47.49 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.2 1.0 . . . . 0.0 108.764 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 32' ' ' LYS . 35.9 mm -67.54 -35.63 73.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.159 -169.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -39.97 68.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.071 1.305 . . . . 0.0 110.558 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -63.15 -64.84 0.79 Allowed 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.76 -46.32 2.64 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.859 2.064 . . . . 0.0 112.955 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.12 -63.63 1.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.455 1.902 . . . . 0.0 108.478 173.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -43.54 65.93 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.584 1.154 . . . . 0.0 112.28 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.2 mt -55.05 -27.99 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 126.176 1.791 . . . . 0.0 109.833 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -113.44 19.61 16.78 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.33 30.46 58.6 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.628 1.109 . . . . 0.0 113.364 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -115.4 172.44 7.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.119 1.459 . . . . 0.0 109.191 -172.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -128.31 170.95 12.47 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.855 2.062 . . . . 0.0 108.812 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -150.43 130.59 13.57 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.362 0.983 . . . . 0.0 111.714 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.623 HG23 ' HG2' ' A' ' 102' ' ' LYS . 36.4 mt -144.07 145.3 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.684 1.594 . . . . 0.0 107.067 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 51' ' ' LEU . 95.7 mt -109.24 148.81 30.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.891 1.676 . . . . 0.0 108.827 171.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 p -139.72 160.83 38.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.82 1.248 . . . . 0.0 110.276 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.5 33.59 19.21 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.014 -1.054 . . . . 0.0 113.303 171.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 103' ' ' ILE . 6.4 mt -68.93 138.67 54.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.405 -0.81 . . . . 0.0 109.742 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -69.34 147.32 51.27 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.09 -39.16 71.7 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.115 0.884 . . . . 0.0 109.62 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 m -71.04 -17.82 62.6 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.68 -35.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 m -57.93 -49.54 76.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.284 -0.885 . . . . 0.0 109.304 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.58 -36.38 69.28 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.483 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.1 -51.62 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 -172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.95 -51.62 68.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -53.48 -49.28 67.8 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.719 0.808 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.44 -58.32 8.22 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 126.802 2.041 . . . . 0.0 111.492 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.8 m -73.27 3.39 5.84 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 76.1 32.34 0.62 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 128.797 2.839 . . . . 0.0 111.436 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mp -85.86 -41.21 15.19 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.872 1.269 . . . . 0.0 111.594 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -33.38 75.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.044 1.293 . . . . 0.0 109.903 -168.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -24.82 66.65 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 171.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.68 3.87 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 120.268 1.394 . . . . 0.0 111.562 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.11 -166.86 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.419 2.288 . . . . 0.0 106.378 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.623 ' HG2' HG23 ' A' ' 80' ' ' ILE . 15.3 tttt -137.53 134.49 35.74 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.261 1.424 . . . . 0.0 107.617 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 84' ' ' LEU . 4.0 mp -132.74 130.74 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 125.411 1.484 . . . . 0.0 108.716 -170.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.468 HG21 ' HA ' ' A' ' 110' ' ' ALA . 65.5 p -131.96 176.53 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.645 1.178 . . . . 0.0 111.435 171.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.34 -55.37 4.36 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.7 p -113.41 167.05 10.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.222 1.009 . . . . 0.0 108.333 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.12 -20.4 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.705 167.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.53 -56.6 18.24 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.521 1.128 . . . . 0.0 109.672 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -9.27 52.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.468 ' HA ' HG21 ' A' ' 104' ' ' THR . . . . . . . . 0 C--O 1.253 1.254 0 C-N-CA 128.849 2.86 . . . . 0.0 112.283 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.325 0 CA-C-O 123.132 1.444 . . . . 0.0 112.529 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.43 144.4 51.37 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 128.928 2.891 . . . . 0.0 105.494 165.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.26 -42.67 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.007 1.323 . . . . 0.0 109.555 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt 60.06 123.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 129.082 2.953 . . . . 0.0 114.201 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.63 80.63 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 127.221 2.208 . . . . 0.0 106.325 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -57.88 119.07 6.06 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -103.87 -162.71 0.92 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.939 1.696 . . . . 0.0 109.55 -176.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -59.63 -52.7 64.39 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.232 0.613 . . . . 0.0 110.506 -159.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.88 9.52 3.58 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.808 1.243 . . . . 0.0 110.587 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -132.69 133.23 43.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.533 1.533 . . . . 0.0 109.041 -168.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -92.2 111.47 23.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.68 99.03 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.19 93.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 163.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -69.89 116.22 10.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 116.63 -2.028 . . . . 0.0 106.143 162.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.579 HG11 ' CG2' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -65.43 166.48 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 171.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 40.9 mt-30 -133.89 136.7 44.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.877 0.871 . . . . 0.0 109.621 155.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 142.03 12.73 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.928 1.252 . . . . 0.0 114.406 164.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -54.46 136.18 44.65 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 127.613 2.365 . . . . 0.0 110.014 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.427 HG23 ' HA ' ' A' ' 57' ' ' MET . 10.1 tt -96.19 115.82 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.644 0.735 . . . . 0.0 109.146 -169.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -134.46 -162.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 110.154 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.33 73.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.306 1.442 . . . . 0.0 113.422 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -63.39 -45.43 91.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 120.141 1.337 . . . . 0.0 107.77 172.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -78.44 -16.02 58.02 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -65.49 -18.13 65.08 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 123.796 0.838 . . . . 0.0 110.79 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -116.05 -22.91 8.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.63 166.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.31 -67.29 0.48 Allowed 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.35 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -47.77 -44.58 28.42 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 121.088 1.767 . . . . 0.0 110.843 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HB2' HG23 ' A' ' 64' ' ' THR . 20.6 ttmt -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.993 1.317 . . . . 0.0 108.811 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.11 -55.37 33.25 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 126.252 1.821 . . . . 0.0 111.645 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -57.29 -27.3 62.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.689 1.196 . . . . 0.0 109.47 -171.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.84 -47.84 7.38 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-O 114.399 -2.715 . . . . 0.0 111.689 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.68 -33.31 72.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 124.106 3.139 . . . . 0.0 111.678 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -66.16 -48.55 70.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.13 -47.32 86.76 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.213 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.18 -31.15 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.65 1.18 . . . . 0.0 111.555 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -57.47 11.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.995 1.318 . . . . 0.0 108.782 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -65.98 -35.3 80.22 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.083 1.753 . . . . 0.0 114.067 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 t -63.77 124.97 22.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 123.475 1.607 . . . . 0.0 111.598 -152.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -81.03 3.98 21.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 113.99 -1.459 . . . . 0.0 112.065 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 62.5 mmtt -128.8 142.78 50.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 126.937 2.095 . . . . 0.0 108.63 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -89.73 -41.32 11.96 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.89 -173.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -57.41 128.1 35.34 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 116.749 -1.596 . . . . 0.0 109.444 169.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -117.47 103.19 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.89 132.34 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.07 103.65 10.45 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 124.032 0.933 . . . . 0.0 110.491 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.523 ' O ' HG12 ' A' ' 19' ' ' VAL . 23.4 t0 -75.34 120.89 21.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.467 -1.73 . . . . 0.0 108.802 174.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.878 HD21 HD22 ' A' ' 81' ' ' LEU . 1.6 mm? -103.1 19.44 19.54 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 122.125 2.239 . . . . 0.0 113.176 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t -55.24 -31.94 61.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.962 -0.461 . . . . 0.0 111.637 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 1.1 t -87.16 2.79 48.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 112.383 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.579 ' CG2' HG11 ' A' ' 19' ' ' VAL . 2.6 t -119.4 90.76 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -87.57 -20.14 26.85 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.662 1.985 . . . . 0.0 114.741 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -124.31 166.29 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.005 2.122 . . . . 0.0 107.99 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.427 ' HA ' HG23 ' A' ' 23' ' ' ILE . 9.9 ttt -160.85 140.11 10.51 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.74 169.86 9.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.736 0.814 . . . . 0.0 110.401 172.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.8 m -56.57 -17.89 10.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.292 1.037 . . . . 0.0 112.462 167.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.99 69.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.779 1.172 . . . . 0.0 109.246 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.45 ' O ' HD23 ' A' ' 65' ' ' LEU . . . -51.66 -53.36 29.53 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 126.258 1.885 . . . . 0.0 110.532 -176.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -35.06 76.36 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 118.285 -2.891 . . . . 0.0 110.879 -168.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.47 -26.07 69.26 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.362 0.982 . . . . 0.0 112.882 169.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.506 HG23 ' HB2' ' A' ' 32' ' ' LYS . 12.2 m -69.27 -54.76 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 106.543 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 61' ' ' GLY . 1.7 mm? -63.39 -45.17 92.31 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.929 1.292 . . . . 0.0 109.832 -171.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -71.34 -15.92 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 120.957 -1.089 . . . . 0.0 113.773 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -34.89 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.616 -0.678 . . . . 0.0 110.972 167.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.14 -31.7 55.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 123.575 0.75 . . . . 0.0 109.961 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -10.7 53.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.48 -1.388 . . . . 0.0 112.165 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -90.13 -72.85 0.54 Allowed 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 167.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.56 -41.31 2.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.863 1.665 . . . . 0.0 114.575 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.74 -59.88 3.45 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 126.65 1.98 . . . . 0.0 109.524 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -45.39 35.79 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.648 1.579 . . . . 0.0 111.012 174.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.49 -29.88 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.733 2.013 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.84 12.57 32.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.985 1.314 . . . . 0.0 112.47 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.78 39.94 65.31 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.884 1.23 . . . . 0.0 112.358 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.22 159.69 26.77 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.366 1.083 . . . . 0.0 111.855 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.05 -176.21 6.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 127.453 2.301 . . . . 0.0 110.361 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -167.8 124.98 1.14 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.901 1.68 . . . . 0.0 109.277 171.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.5 mt -142.75 148.88 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 129.097 2.959 . . . . 0.0 105.528 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 HD21 ' A' ' 51' ' ' LEU . 51.4 mt -116.79 142.36 47.02 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.196 0.999 . . . . 0.0 108.965 172.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.3 167.76 21.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.018 0.527 . . . . 0.0 111.638 172.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 58.07 31.11 20.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.805 2.042 . . . . 0.0 112.746 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.543 ' HG ' HD23 ' A' ' 51' ' ' LEU . 12.0 mt -66.43 128.42 36.11 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.15 -0.969 . . . . 0.0 110.921 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -71.67 146.61 48.14 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.702 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -68.09 -20.31 64.93 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.844 -171.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 -0.79 51.4 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.952 173.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -117.98 -37.21 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 126.437 1.895 . . . . 0.0 108.251 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -57.07 -48.23 79.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -54.54 -37.3 65.25 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 112.59 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -48.84 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -171.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -55.2 -51.19 67.36 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -55.89 -50.45 70.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.944 0.898 . . . . 0.0 111.237 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.6 mt -50.82 -45.26 59.38 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.09 2.156 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -99.1 27.58 4.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.221 1.408 . . . . 0.0 110.664 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 54.42 26.16 6.79 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 129.103 2.961 . . . . 0.0 115.902 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.06 -39.26 14.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 124.404 1.082 . . . . 0.0 112.878 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.03 -37.36 86.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.502 1.046 . . . . 0.0 109.847 -174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.554 ' HE2' HG23 ' A' ' 100' ' ' ILE . 4.8 ptmt -60.4 -7.12 1.85 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.539 -1.696 . . . . 0.0 114.45 172.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.554 HG23 ' HE2' ' A' ' 99' ' ' LYS . 21.5 pt -139.14 -9.34 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.715 2.052 . . . . 0.0 113.564 -173.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -98.8 -177.57 3.69 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.805 1.642 . . . . 0.0 108.409 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.6 118.55 33.43 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.506 -0.746 . . . . 0.0 110.97 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 84' ' ' LEU . 5.2 mp -126.67 129.44 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 109.598 -173.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 175.59 8.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.803 1.641 . . . . 0.0 109.704 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.31 -64.03 1.18 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 p -103.24 146.44 28.43 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.81 -32.13 42.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.483 -0.761 . . . . 0.0 109.664 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.29 -36.28 68.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.084 0.954 . . . . 0.0 112.36 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.13 -1.27 31.75 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.649 -178.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mttm . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.873 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.29 152.59 18.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 172.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -23.35 7.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.781 0.832 . . . . 0.0 111.931 -162.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mt 42.22 110.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 130.525 3.53 . . . . 0.0 114.837 163.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -135.69 95.93 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 126.812 2.045 . . . . 0.0 107.551 -170.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.88 116.79 13.8 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.262 -1.523 . . . . 0.0 108.351 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -151.4 0.19 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.014 1.325 . . . . 0.0 108.971 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.98 -57.32 8.07 Favored 'General case' 0 CA--C 1.517 -0.315 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -172.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -139.07 10.14 2.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 123.598 1.666 . . . . 0.0 113.214 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -120.79 136.57 54.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 129.368 3.067 . . . . 0.0 107.201 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 115.55 28.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.964 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -82.85 92.88 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.5 t -79.21 89.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 166.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -67.65 133.16 48.87 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 165.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -98.06 159.25 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 173.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -132.74 145.06 50.71 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 125.147 1.379 . . . . 0.0 108.441 165.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.87 149.7 26.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 126.437 1.97 . . . . 0.0 110.166 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.8 159.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 110.164 147.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' CG1' ' A' ' 54' ' ' VAL . 5.6 tt -122.91 118.06 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 C-N-CA 127.767 2.427 . . . . 0.0 107.324 -172.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -136.3 -175.99 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.049 -1.032 . . . . 0.0 112.862 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.33 -31.09 68.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.813 1.645 . . . . 0.0 113.483 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -76.43 -34.45 58.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.689 1.132 . . . . 0.0 109.918 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -80.76 -10.1 59.75 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.657 1.183 . . . . 0.0 108.347 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 5.6 t -68.02 -6.12 20.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 126.862 2.065 . . . . 0.0 113.008 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -111.51 -25.04 9.79 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 119.596 1.089 . . . . 0.0 110.78 163.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.75 -67.49 0.55 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.983 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -49.74 -44.85 48.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.64 2.018 . . . . 0.0 111.12 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE2' ' HA ' ' A' ' 64' ' ' THR . 29.6 ttmt -50.85 -55.73 15.59 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.087 0.867 . . . . 0.0 110.27 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 36' ' ' ARG . 3.7 pt-20 -63.38 -43.29 98.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HB3' HD21 ' A' ' 6' ' ' LEU . 3.6 mm100 -64.52 -24.57 67.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.205 0.602 . . . . 0.0 110.118 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.59 -44.41 11.26 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-O 114.478 -2.677 . . . . 0.0 111.71 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.02 -36.71 75.44 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 125.213 3.642 . . . . 0.0 110.631 174.387 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -67.34 -43.52 81.36 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -76.73 -44.09 34.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.085 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.3 mp -49.58 -37.29 11.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 120.672 1.578 . . . . 0.0 111.366 168.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -14.12 60.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.068 1.304 . . . . 0.0 112.816 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -84.76 -53.82 5.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 120.303 1.41 . . . . 0.0 110.107 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.501 HG21 HD11 ' A' ' 47' ' ' ILE . 8.8 t -51.23 113.42 0.93 Allowed 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.775 2.03 . . . . 0.0 111.135 -141.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 t -62.12 -35.46 78.79 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.123 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.73 144.37 25.58 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.445 -0.784 . . . . 0.0 110.11 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -78.33 -42.47 30.52 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 117.768 -1.111 . . . . 0.0 113.119 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 2.1 ttpm? -81.57 92.69 6.57 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 117.437 -1.268 . . . . 0.0 110.745 -164.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 42' ' ' THR . 12.8 mm -85.24 103.3 12.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -171.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -94.76 138.1 21.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.59 111.03 19.31 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 110.144 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 83' ' ' SER . 9.9 t0 -90.61 114.41 26.66 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.182 -1.389 . . . . 0.0 109.391 -173.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.597 HD12 HD11 ' A' ' 84' ' ' LEU . 22.3 mt -107.85 24.35 13.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 120.634 1.561 . . . . 0.0 113.31 -166.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -64.35 -19.69 65.63 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.888 1.675 . . . . 0.0 113.145 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 m -105.38 -5.47 20.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.736 1.614 . . . . 0.0 111.037 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG2' HG11 ' A' ' 19' ' ' VAL . 42.6 t -82.26 101.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -92.73 -28.1 16.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -173.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -135.98 152.81 51.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.97 1.308 . . . . 0.0 107.626 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 ttt -147.88 132.57 17.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.01 1.724 . . . . 0.0 108.173 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.28 -179.3 4.32 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.315 0.646 . . . . 0.0 109.535 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -66.24 -6.89 15.29 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.968 -1.082 . . . . 0.0 112.827 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.74 82.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.645 0.778 . . . . 0.0 109.653 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.3 -35.17 77.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 125.268 1.413 . . . . 0.0 110.95 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.02 -58.73 7.29 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.78 -5.49 13.75 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.418 2.437 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.438 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.1 m -96.59 -16.56 20.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.43 -1.041 . . . . 0.0 110.563 174.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -118.08 -43.32 2.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.737 1.215 . . . . 0.0 110.72 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.6 -27.91 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 123.48 0.712 . . . . 0.0 110.264 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -43.18 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.638 0.775 . . . . 0.0 110.241 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mm -67.39 -22.23 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 124.116 0.966 . . . . 0.0 110.339 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.37 -39.59 70.28 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 119.171 0.896 . . . . 0.0 110.618 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -71.13 -63.95 1.0 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.468 170.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.43 -44.99 12.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.7 1.136 . . . . 0.0 113.607 -171.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.5 44.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.818 1.647 . . . . 0.0 110.781 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -43.09 59.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.503 1.121 . . . . 0.0 111.364 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.4 mt -54.69 -47.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 119.095 0.862 . . . . 0.0 109.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -86.03 -0.75 56.33 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.474 0.654 . . . . 0.0 111.531 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.02 41.17 72.06 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.201 1.381 . . . . 0.0 111.182 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -112.04 152.94 27.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.043 0.921 . . . . 0.0 109.207 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 46' ' ' LYS . 3.9 tp10 -83.06 -179.85 7.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.649 1.179 . . . . 0.0 109.514 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -157.82 128.63 6.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.182 -0.949 . . . . 0.0 110.907 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.467 HG23 ' HG2' ' A' ' 102' ' ' LYS . 75.5 mt -145.57 156.14 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 128.25 2.62 . . . . 0.0 105.545 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 51' ' ' LEU . 55.2 mt -117.77 148.44 42.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 168.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.55 163.43 32.86 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.838 0.855 . . . . 0.0 110.595 171.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.414 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 0.2 OUTLIER 60.16 64.11 1.3 Allowed 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.8 1.64 . . . . 0.0 114.64 173.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.597 HD11 HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -91.77 149.54 21.55 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.293 -0.879 . . . . 0.0 110.359 -175.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -79.64 154.31 28.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.23 -31.66 71.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.319 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.0 m -76.74 -19.16 57.97 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.577 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mm -97.74 -38.33 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -46.26 90.96 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -56.76 -38.64 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.554 -1.341 . . . . 0.0 112.15 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.77 -46.69 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -173.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.44 -44.21 96.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -58.61 -53.64 56.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.562 1.074 . . . . 0.0 111.187 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -49.33 -57.03 7.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 127.295 2.238 . . . . 0.0 109.992 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.11 16.26 2.47 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.961 0.904 . . . . 0.0 112.367 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.45 4.58 0.52 Allowed 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 129.494 3.117 . . . . 0.0 114.724 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.64 -35.94 71.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.065 1.302 . . . . 0.0 112.254 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.7 -22.51 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.454 0.57 . . . . 0.0 111.677 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.58 2.09 46.41 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.533 172.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 pt -131.01 -25.11 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.449 1.477 . . . . 0.0 111.866 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -82.45 -175.12 5.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.862 2.065 . . . . 0.0 109.43 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HG2' HG23 ' A' ' 80' ' ' ILE . 30.7 tttt -125.85 128.02 46.98 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 124.666 1.187 . . . . 0.0 107.81 171.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.29 115.66 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 125.047 1.467 . . . . 0.0 107.868 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.65 178.52 4.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.312 1.845 . . . . 0.0 110.389 176.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.02 -42.96 8.0 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 120.707 -1.246 . . . . 0.0 111.121 -169.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 p -121.14 152.25 38.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.08 -15.78 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 121.545 -0.722 . . . . 0.0 111.373 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.08 -35.05 56.85 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.157 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -28.84 65.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 120.127 1.331 . . . . 0.0 110.807 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.507 1.523 . . . . 0.0 110.27 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mttp . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.61 159.99 19.81 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -38.73 5.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 124.15 0.98 . . . . 0.0 110.99 -165.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 77.6 mt 62.26 116.52 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 127.116 2.166 . . . . 0.0 113.522 165.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.22 91.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 125.89 1.676 . . . . 0.0 107.067 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.65 115.73 7.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.494 -1.379 . . . . 0.0 109.562 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -158.95 0.18 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 4.3 m-20 -63.6 -59.68 4.3 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.301 1.84 . . . . 0.0 111.026 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -135.04 3.65 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 0.0 111.956 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -115.26 135.45 54.14 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 120.552 -1.342 . . . . 0.0 109.664 166.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 110.35 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 117.971 -1.014 . . . . 0.0 108.496 170.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.7 92.68 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 119.466 1.03 . . . . 0.0 108.513 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.527 HG11 HD21 ' A' ' 35' ' ' LEU . 47.3 t -86.69 90.38 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 123.549 1.642 . . . . 0.0 108.146 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 31.5 mtm180 -73.36 120.07 18.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.038 175.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.04 154.76 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -129.74 127.25 40.04 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.703 1.601 . . . . 0.0 109.94 159.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 169.65 14.02 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 107.83 -2.108 . . . . 0.0 107.83 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -69.81 -169.96 0.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 129.736 3.214 . . . . 0.0 109.309 166.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.515 HD13 HD13 ' A' ' 31' ' ' LEU . 4.9 tp -145.03 96.85 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 120.224 -1.548 . . . . 0.0 110.963 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -133.9 -175.52 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.999 1.32 . . . . 0.0 112.04 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.81 10.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.825 2.05 . . . . 0.0 114.89 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -87.95 -33.11 18.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.896 1.225 . . . . 0.0 109.8 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.05 -15.87 49.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 -2.1 0.21 Allowed 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 170.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -120.19 -35.37 3.47 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.647 -1.168 . . . . 0.0 112.191 156.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.94 -58.37 6.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.487 1.039 . . . . 0.0 109.898 -172.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 31' ' ' LEU . 6.3 tt -55.06 -50.73 68.4 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.261 0.937 . . . . 0.0 108.509 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -52.65 -42.24 64.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.447 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -76.12 -39.63 54.7 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.363 0.665 . . . . 0.0 110.604 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.17 -43.91 61.4 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.527 HD21 HG11 ' A' ' 17' ' ' VAL . 88.5 mt -84.96 -46.79 10.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 115.862 -2.018 . . . . 0.0 113.086 -172.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -31.37 61.87 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.982 2.628 . . . . 0.0 110.886 175.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -72.76 -53.45 11.57 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.403 1.081 . . . . 0.0 109.382 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -69.55 -41.42 75.92 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.742 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -45.27 -35.27 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.696 1.134 . . . . 0.0 113.124 170.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -46.55 56.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.672 1.124 . . . . 0.0 110.56 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -39.82 92.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.629 -0.701 . . . . 0.0 111.878 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -65.27 134.43 53.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 119.331 -0.947 . . . . 0.0 112.022 -154.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.69 4.99 26.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 128.299 2.64 . . . . 0.0 112.194 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 12' ' ' ASP . 3.4 mptt -126.92 155.14 43.53 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 120.468 1.485 . . . . 0.0 108.431 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -86.85 -42.48 13.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.399 -1.728 . . . . 0.0 110.009 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -79.75 86.78 5.29 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.942 1.246 . . . . 0.0 111.957 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.83 93.53 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.5 t -83.72 147.62 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.25 150.53 36.04 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.4 t0 -123.0 118.51 27.95 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -115.31 20.8 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.019 1.327 . . . . 0.0 111.212 -168.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -26.24 64.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 126.715 2.006 . . . . 0.0 112.863 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -89.06 -6.55 57.03 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.193 1.397 . . . . 0.0 113.033 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -89.66 103.03 13.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -30.99 22.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.742 1.217 . . . . 0.0 111.361 173.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -135.49 150.24 49.74 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 126.025 1.73 . . . . 0.0 109.603 -173.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.442 ' HG3' HG23 ' A' ' 23' ' ' ILE . 8.2 ttm -139.04 129.45 25.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.348 1.059 . . . . 0.0 108.572 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.92 160.87 23.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.2 m -57.06 2.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 115.258 167.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.78 -10.6 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 120.288 1.404 . . . . 0.0 113.655 167.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -51.54 -61.02 6.71 Favored Glycine 0 C--O 1.204 -1.74 0 CA-C-O 123.957 1.865 . . . . 0.0 109.381 170.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.695 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -52.14 -38.04 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 118.445 -2.797 . . . . 0.0 114.108 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 62' ' ' LEU . . . -71.09 -19.12 77.0 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 24.2 m -72.93 -51.18 19.48 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.226 2.21 . . . . 0.0 107.296 168.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 81' ' ' LEU . 2.6 mm? -66.3 -49.95 65.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 123.597 0.759 . . . . 0.0 111.748 -173.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -24.83 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 119.386 0.994 . . . . 0.0 113.432 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.517 1.127 . . . . 0.0 108.673 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -62.66 -32.36 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.48 -40.61 62.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.829 1.195 . . . . 0.0 110.299 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -73.14 -64.25 1.01 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 116.981 -1.485 . . . . 0.0 108.657 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.0 -45.83 0.93 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.721 1.601 . . . . 0.0 112.649 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.94 4.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.081 1.752 . . . . 0.0 110.57 172.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.05 51.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.753 1.621 . . . . 0.0 112.575 175.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.5 mt -56.7 -46.92 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.851 1.26 . . . . 0.0 108.224 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -93.13 10.32 32.18 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.053 1.341 . . . . 0.0 111.72 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.92 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.729 1.157 . . . . 0.0 113.541 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -103.93 167.29 9.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.071 0.935 . . . . 0.0 109.651 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.7 169.51 8.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.453 2.301 . . . . 0.0 109.43 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -151.5 132.53 14.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.336 -0.852 . . . . 0.0 110.372 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -148.57 150.49 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.798 2.039 . . . . 0.0 107.829 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 65' ' ' LEU . 66.6 mt -117.17 130.85 56.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.45 1.5 . . . . 0.0 108.262 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.46 160.75 34.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.012 0.525 . . . . 0.0 110.884 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.86 28.07 15.51 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.294 1.437 . . . . 0.0 113.714 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 103' ' ' ILE . 19.5 mt -61.62 133.69 55.92 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 120.623 -1.298 . . . . 0.0 108.499 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -72.52 159.98 33.04 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-O 121.538 0.685 . . . . 0.0 109.265 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.23 -31.37 67.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.241 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -80.36 -12.9 59.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.893 0.877 . . . . 0.0 112.616 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.75 -36.47 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.971 1.308 . . . . 0.0 108.346 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.9 m -59.41 -49.0 79.49 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -53.75 -36.14 62.03 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.466 -0.772 . . . . 0.0 112.69 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.24 -49.4 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -172.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.1 -45.43 90.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -60.02 -47.72 84.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.142 -1.599 . . . . 0.0 111.823 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.88 -63.12 1.24 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.447 1.899 . . . . 0.0 108.109 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.44 19.99 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.962 1.305 . . . . 0.0 113.404 -178.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.75 30.07 8.39 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.755 2.422 . . . . 0.0 114.299 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -30.6 22.72 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 127.462 2.305 . . . . 0.0 110.773 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -49.67 71.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.066 0.848 . . . . 0.0 108.842 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 4.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.187 1.795 . . . . 0.0 115.744 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 pt -139.26 5.98 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 126.979 2.112 . . . . 0.0 111.463 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.32 -161.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.106 3.363 . . . . 0.0 109.736 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -140.81 126.15 18.71 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.533 1.933 . . . . 0.0 111.789 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.442 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -130.49 115.04 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 125.596 1.558 . . . . 0.0 109.893 -171.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -121.46 177.33 5.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.159 1.384 . . . . 0.0 109.879 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -93.7 -53.36 4.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -169.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.1 p -110.25 153.39 24.89 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.94 -26.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.409 -0.807 . . . . 0.0 111.072 169.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -41.8 93.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.547 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.42 -13.57 61.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.682 1.128 . . . . 0.0 113.297 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.296 1.438 . . . . 0.0 110.041 -172.513 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttp . . . . . 0 CA--C 1.507 -0.681 0 CA-C-O 123.02 1.39 . . . . 0.0 111.543 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.493 HD22 HG12 ' A' ' 17' ' ' VAL . 11.2 mt -121.35 159.54 25.89 Favored 'General case' 0 N--CA 1.42 -1.935 0 C-N-CA 127.854 2.462 . . . . 0.0 106.973 169.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 7.4 m-20 -103.87 -53.75 2.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.502 1.921 . . . . 0.0 107.379 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.0 mt 57.67 129.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 130.455 3.502 . . . . 0.0 113.17 -172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 16' ' ' ILE . 4.3 t -143.21 81.31 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -57.47 110.84 0.94 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 170.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.9 -164.29 1.11 Allowed 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.54 1.136 . . . . 0.0 108.339 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -58.2 -61.84 2.27 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.281 2.232 . . . . 0.0 113.216 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -129.35 7.35 5.37 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.621 1.568 . . . . 0.0 110.704 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -140.81 137.41 33.29 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 129.0 2.92 . . . . 0.0 106.532 -164.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 109.12 20.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 9' ' ' VAL . 77.1 mt -80.21 112.85 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.493 HG12 HD22 ' A' ' 6' ' ' LEU . 66.3 t -99.08 85.04 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 163.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 5.5 mtp85 -61.5 127.47 31.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 166.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' HA ' HD23 ' A' ' 6' ' ' LEU . 2.9 t -88.82 159.31 2.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 171.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -124.57 147.45 48.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.04 0.936 . . . . 0.0 112.061 154.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 91.07 153.08 29.0 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 124.417 1.008 . . . . 0.0 112.17 173.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.07 166.9 1.4 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 111.871 164.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 HD21 ' A' ' 27' ' ' ASN . 1.4 tt -138.69 96.88 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.804 2.042 . . . . 0.0 110.101 -151.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -148.48 -165.96 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.103 1.361 . . . . 0.0 111.083 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.63 -28.56 5.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.619 1.568 . . . . 0.0 113.332 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.66 -44.38 70.63 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.488 1.115 . . . . 0.0 109.404 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.438 HD21 HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -86.36 -13.47 46.37 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -61.04 -4.38 1.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 p -120.62 -37.36 3.02 Favored 'General case' 0 C--O 1.227 -0.105 0 O-C-N 120.343 -1.473 . . . . 0.0 112.706 150.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -57.0 -65.22 0.66 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.332 0.653 . . . . 0.0 110.723 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 31' ' ' LEU . 7.3 tt -53.38 -47.78 69.19 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.828 0.74 . . . . 0.0 110.558 174.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -50.94 -43.92 60.31 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.022 0.929 . . . . 0.0 110.355 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.77 -45.62 64.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.487 ' HB3' HD12 ' A' ' 6' ' ' LEU . 31.4 mm-40 -57.75 -14.37 5.66 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 124.734 1.214 . . . . 0.0 113.238 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 31' ' ' LEU . 56.8 mt -105.07 -49.98 3.35 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-O 115.292 -2.289 . . . . 0.0 112.095 171.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.19 -33.98 77.05 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 123.819 3.009 . . . . 0.0 111.519 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -72.41 -38.5 68.37 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.113 0.965 . . . . 0.0 108.977 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.79 -52.06 34.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.607 -1.187 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.68 -37.36 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.596 1.089 . . . . 0.0 112.629 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -58.76 -47.94 82.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.091 1.356 . . . . 0.0 110.106 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -64.51 -54.81 26.4 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.861 0.865 . . . . 0.0 111.202 171.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.31 118.12 4.13 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.043 1.737 . . . . 0.0 112.076 -147.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 t -58.18 -47.77 82.39 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.612 1.565 . . . . 0.0 108.768 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.24 132.21 34.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -163.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -69.87 -52.41 25.08 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.051 -174.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -73.65 97.78 2.73 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 117.162 -1.399 . . . . 0.0 111.87 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -85.86 99.89 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -92.0 140.7 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.78 99.25 4.12 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.217 1.371 . . . . 0.0 112.967 -166.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.55 139.49 36.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.581 1.952 . . . . 0.0 110.891 -169.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 54' ' ' VAL . 93.4 mt -131.46 19.49 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.47 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -67.35 -11.91 58.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.704 -1.247 . . . . 0.0 113.889 178.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -88.49 -7.54 56.36 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 119.955 -1.716 . . . . 0.0 110.83 174.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 21' ' ' GLY . 35.0 t -107.75 97.62 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 120.531 -1.356 . . . . 0.0 108.416 -158.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.99 -9.92 23.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -138.06 155.11 49.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.7 ttt -154.51 127.01 7.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.33 175.63 8.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.435 1.112 . . . . 0.0 108.151 167.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -32.97 4.15 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 127.86 2.464 . . . . 0.0 111.596 160.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.81 63.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.84 8.41 Favored Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 126.195 1.855 . . . . 0.0 113.241 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.528 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -66.25 -48.47 70.39 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -174.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -19.51 23.71 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.301 1.905 . . . . 0.0 112.839 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -95.31 -5.5 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.806 1.303 . . . . 0.0 110.154 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.85 -43.9 3.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.913 1.285 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.92 -29.36 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.632 -0.668 . . . . 0.0 111.944 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.59 -37.28 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.054 -1.029 . . . . 0.0 110.744 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.72 -26.91 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.253 -0.905 . . . . 0.0 109.539 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.37 -32.4 68.54 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.902 -0.498 . . . . 0.0 110.375 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -71.14 -61.65 1.69 Allowed 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 117.082 -1.437 . . . . 0.0 109.625 168.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.95 -44.7 3.55 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.738 1.608 . . . . 0.0 114.043 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -61.0 2.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.25 1.82 . . . . 0.0 108.84 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.424 -1.274 . . . . 0.0 112.15 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.35 -43.36 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.89 1.223 . . . . 0.0 109.082 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 9.78 39.8 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.289 1.036 . . . . 0.0 112.22 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.34 17.55 78.93 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.186 1.374 . . . . 0.0 112.57 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -92.15 160.18 15.31 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -176.64 3.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 110.852 -174.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -159.08 126.17 4.76 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.259 -0.901 . . . . 0.0 110.284 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 102' ' ' LYS . 80.0 mt -143.38 137.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.987 2.115 . . . . 0.0 105.619 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.85 153.49 18.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.29 172.77 12.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.87 35.56 12.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.618 1.567 . . . . 0.0 112.193 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 HG23 ' A' ' 103' ' ' ILE . 4.9 mt -68.56 120.21 14.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.687 -0.633 . . . . 0.0 110.432 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 52' ' ' SER . 38.9 mttt -55.9 149.34 15.19 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.486 170.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.9 -33.17 74.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.465 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 m -62.45 -22.4 66.18 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.286 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mm -112.55 -34.53 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 125.227 1.411 . . . . 0.0 108.841 -171.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -56.81 -52.34 65.45 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -55.09 -38.58 68.3 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.88 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.61 -48.55 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.32 -45.32 91.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -60.69 -51.69 68.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 O-C-N 121.165 -0.959 . . . . 0.0 111.16 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.5 mt -46.44 -57.34 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.353 2.661 . . . . 0.0 110.039 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.272 36.2 m -78.33 13.96 1.37 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.3 m80 54.78 37.68 28.86 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 125.995 1.718 . . . . 0.0 111.715 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -100.01 -33.18 10.6 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.869 2.068 . . . . 0.0 109.804 -176.613 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -40.28 94.29 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.681 0.673 . . . . 0.0 110.184 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -8.97 29.55 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.37 1.468 . . . . 0.0 114.354 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.541 HD11 HD22 ' A' ' 97' ' ' LEU . 23.2 pt -125.09 2.44 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.121 -174.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -118.19 -169.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 129.855 3.262 . . . . 0.0 107.589 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HG2' HG23 ' A' ' 80' ' ' ILE . 62.2 tttt -131.4 137.92 48.88 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 168.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.425 HG23 HD12 ' A' ' 84' ' ' LEU . 3.7 mp -128.15 142.64 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -174.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 p -144.45 -177.81 5.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 127.102 2.161 . . . . 0.0 108.577 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.66 -53.29 2.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 126.194 1.798 . . . . 0.0 108.669 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 p -114.96 143.18 45.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.78 -32.04 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -19.25 63.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.396 1.878 . . . . 0.0 113.386 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -9.53 49.95 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.08 1.352 . . . . 0.0 113.482 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 126.584 1.953 . . . . 0.0 112.749 -173.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt . . . . . 0 CA--C 1.517 -0.295 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.817 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.96 167.78 9.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.734 1.613 . . . . 0.0 108.102 175.245 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.16 -24.98 4.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.985 0.914 . . . . 0.0 111.761 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mt 41.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 130.851 3.66 . . . . 0.0 116.606 164.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.61 89.73 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 127.448 2.299 . . . . 0.0 108.627 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.93 112.86 1.63 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.288 -1.507 . . . . 0.0 107.976 171.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 5.8 tt0 -80.04 -155.65 0.11 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.179 0.992 . . . . 0.0 108.553 172.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.87 -43.47 58.48 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.594 -1.317 . . . . 0.0 112.067 -175.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -130.2 -18.32 3.3 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.998 0.919 . . . . 0.0 111.76 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -105.49 150.47 25.29 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 121.208 -0.932 . . . . 0.0 110.204 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.8 106.98 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 HG11 ' A' ' 107' ' ' VAL . 46.4 mt -78.89 87.01 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.3 78.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 58.4 mtt180 -54.45 133.76 45.79 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 163.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.11 145.59 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 119.208 0.913 . . . . 0.0 108.584 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -130.82 138.59 49.95 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.167 0.987 . . . . 0.0 109.817 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.0 147.56 20.76 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.799 1.666 . . . . 0.0 111.018 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -53.78 155.5 3.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.468 1.907 . . . . 0.0 112.455 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -108.65 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.323 1.449 . . . . 0.0 109.524 -170.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -139.52 -164.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.49 1.116 . . . . 0.0 112.416 -173.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 28' ' ' SER . . . -48.8 -30.96 6.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.936 1.294 . . . . 0.0 113.198 172.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -64.59 -34.63 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.855 1.207 . . . . 0.0 109.547 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -13.77 19.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.494 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 38.2 t -43.73 -24.23 0.12 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.283 1.833 . . . . 0.0 115.134 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 p -121.68 -26.19 4.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.426 162.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.94 -65.38 0.69 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.479 1.036 . . . . 0.0 109.474 -171.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 35' ' ' LEU . 9.5 tt -55.93 -45.59 78.72 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 124.578 1.151 . . . . 0.0 109.803 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HB2' HG23 ' A' ' 64' ' ' THR . 28.4 ttpt -51.84 -44.25 63.51 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.041 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 -47.37 71.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 110.389 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.541 ' CD ' HD21 ' A' ' 6' ' ' LEU . 18.3 mm-40 -56.21 -18.76 11.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 125.129 1.372 . . . . 0.0 112.278 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.55 HD12 HD21 ' A' ' 31' ' ' LEU . 29.2 mt -106.37 -48.57 3.53 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-O 115.012 -2.423 . . . . 0.0 111.297 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -57.22 -33.1 67.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 124.019 3.1 . . . . 0.0 110.834 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.4 -48.71 63.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.81 1.244 . . . . 0.0 109.054 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -71.5 -47.09 57.62 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.842 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.1 mp -44.09 -40.62 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 120.348 1.431 . . . . 0.0 112.046 169.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.38 -42.75 98.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.724 0.693 . . . . 0.0 110.486 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -72.11 -49.13 38.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.834 0.853 . . . . 0.0 112.711 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.1 t -57.56 126.5 27.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 123.168 1.461 . . . . 0.0 112.847 -147.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -77.79 -7.59 56.81 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 126.101 1.76 . . . . 0.0 112.648 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 11' ' ' GLN . 45.9 mmtm -124.97 108.18 11.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -169.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.23 -25.25 66.01 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.127 0.876 . . . . 0.0 112.37 -163.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -86.47 87.28 7.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 118.833 0.742 . . . . 0.0 109.647 -166.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 42' ' ' THR . 8.2 mm -82.23 99.55 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -170.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.8 t -96.64 127.46 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HB2' HD23 ' A' ' 81' ' ' LEU . 4.3 mm? -112.34 99.22 7.84 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.987 1.315 . . . . 0.0 109.157 -172.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 9.6 t0 -73.81 130.03 39.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.408 1.083 . . . . 0.0 108.475 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 81' ' ' LEU . 58.5 mt -121.5 14.96 11.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 118.509 0.595 . . . . 0.0 112.183 -174.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -44.09 -36.19 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.117 2.167 . . . . 0.0 113.669 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -101.6 16.37 25.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 119.434 1.016 . . . . 0.0 112.501 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 14.2 t -103.35 153.44 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 104.254 -2.498 . . . . 0.0 104.254 166.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.411 ' O ' HD11 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -156.88 -20.09 0.09 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 120.199 1.363 . . . . 0.0 112.572 171.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.08 146.08 38.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.111 1.364 . . . . 0.0 107.526 166.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.7 ttt -150.55 156.41 41.35 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.089 1.756 . . . . 0.0 107.142 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -150.83 -168.57 3.14 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.659 1.984 . . . . 0.0 108.812 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -22.81 66.92 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.67 -41.99 43.44 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' HG13 ' A' ' 23' ' ' ILE . . . -49.55 -59.92 6.8 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 123.821 0.724 . . . . 0.0 113.612 166.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.65 -45.35 94.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.329 0.652 . . . . 0.0 109.326 -171.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.5 -14.18 48.11 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.502 1.525 . . . . 0.0 112.983 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 32' ' ' LYS . 56.4 m -103.5 -4.03 24.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.196 1.799 . . . . 0.0 110.779 -174.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.73 -42.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.777 1.231 . . . . 0.0 109.189 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.84 -29.01 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.579 1.151 . . . . 0.0 110.806 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.65 -40.71 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.79 1.636 . . . . 0.0 111.484 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.6 -32.23 48.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.096 -165.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.5 -40.23 78.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.521 1.509 . . . . 0.0 110.593 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -65.47 -67.91 0.4 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.06 -41.8 2.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.463 2.305 . . . . 0.0 112.811 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -61.4 2.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.369 2.267 . . . . 0.0 111.181 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -36.93 63.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.209 1.368 . . . . 0.0 111.616 176.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.38 -31.85 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.964 1.705 . . . . 0.0 109.509 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.09 6.82 43.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.79 40.16 64.93 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.73 1.157 . . . . 0.0 112.682 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -118.36 166.85 12.14 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.035 1.334 . . . . 0.0 109.879 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -98.1 -172.65 2.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.639 1.575 . . . . 0.0 111.399 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -167.91 118.81 0.83 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.13 152.57 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 127.124 2.17 . . . . 0.0 106.871 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.489 HD22 HD11 ' A' ' 51' ' ' LEU . 75.3 mt -117.77 139.51 50.96 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 119.727 1.149 . . . . 0.0 108.286 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.66 172.48 12.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.712 0.805 . . . . 0.0 111.577 172.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t 49.81 40.8 21.25 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 126.614 1.966 . . . . 0.0 110.689 -171.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 103' ' ' ILE . 53.6 mt -74.35 162.83 28.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.59 -1.319 . . . . 0.0 109.709 169.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.538 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 18.8 mtmm -133.05 156.29 47.65 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -164.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.19 -23.81 67.6 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.49 0.494 . . . . 0.0 110.107 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 -21.54 60.95 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 55' ' ' SER . 47.9 mm -122.23 -34.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 C-N-CA 124.614 1.166 . . . . 0.0 109.992 -168.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -60.62 -44.31 96.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -55.87 -38.71 70.51 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 170.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.95 -47.6 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -34.29 78.08 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.23 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -64.58 -51.13 64.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 120.398 1.454 . . . . 0.0 111.1 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.62 -52.45 17.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.029 2.532 . . . . 0.0 110.337 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -88.53 13.05 12.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.935 0.894 . . . . 0.0 112.677 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 49.95 34.88 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.142 1.777 . . . . 0.0 112.333 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.767 HD11 HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.23 -37.22 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.26 168.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.94 -30.52 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.717 -0.614 . . . . 0.0 111.492 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HG3' HG23 ' A' ' 100' ' ' ILE . 8.7 ptmt -74.23 -5.18 40.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 114.139 176.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.428 HG23 ' HG3' ' A' ' 99' ' ' LYS . 23.5 pt -135.34 8.29 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.427 1.491 . . . . 0.0 111.34 -172.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -124.54 -168.63 1.84 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 129.789 3.236 . . . . 0.0 107.444 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -132.8 145.12 50.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 121.61 -0.682 . . . . 0.0 109.818 160.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 84' ' ' LEU . 4.3 mp -127.77 128.45 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 p -126.19 178.69 5.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.825 2.45 . . . . 0.0 108.688 170.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.78 -76.5 0.57 Allowed 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 102.11 -3.293 . . . . 0.0 102.11 -171.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 p -94.37 143.99 25.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.463 HG11 HG23 ' A' ' 16' ' ' ILE . 7.0 t -57.51 -26.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 124.486 1.115 . . . . 0.0 110.542 176.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.46 -39.96 89.47 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.576 -0.702 . . . . 0.0 112.716 169.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 -15.59 59.3 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.276 1.43 . . . . 0.0 113.072 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 126.183 1.793 . . . . 0.0 108.845 173.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt . . . . . 0 CA--C 1.506 -0.715 0 CA-C-O 121.058 0.456 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.821 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -91.67 -175.26 4.12 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 167.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 -45.37 2.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.932 -1.105 . . . . 0.0 111.21 167.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt 63.15 126.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 130.273 3.429 . . . . 0.0 113.041 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -135.54 91.37 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 127.694 2.398 . . . . 0.0 105.709 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.8 109.83 3.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.332 -1.48 . . . . 0.0 108.161 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -153.95 0.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.628 1.171 . . . . 0.0 109.482 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -82.89 -34.82 26.59 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 111.873 -168.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 1.7 t0 -144.95 7.29 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.681 0.792 . . . . 0.0 111.052 170.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 46' ' ' LYS . 14.1 ptmt -132.61 146.38 51.85 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.4 -1.437 . . . . 0.0 109.654 -173.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 110.9 22.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.873 0.76 . . . . 0.0 108.981 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.536 HG23 HG11 ' A' ' 107' ' ' VAL . 69.2 mt -81.7 84.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.65 88.38 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 O-C-N 119.93 -1.731 . . . . 0.0 107.241 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.544 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 16.1 mtp180 -71.31 133.16 45.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 49' ' ' LEU . 61.2 t -104.64 144.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -131.78 128.63 39.21 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 108.695 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 146.54 12.57 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.599 ' HA ' HG13 ' A' ' 54' ' ' VAL . 9.6 p-10 -71.94 156.35 39.36 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 126.356 1.862 . . . . 0.0 112.063 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.507 HG13 HD22 ' A' ' 27' ' ' ASN . 8.9 tt -117.05 120.55 65.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.718 0.77 . . . . 0.0 111.126 -151.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -147.78 -175.46 4.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.908 1.283 . . . . 0.0 110.966 -164.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 -2.99 4.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.358 1.863 . . . . 0.0 115.024 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -95.96 -36.82 10.92 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 109.082 167.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.507 HD22 HG13 ' A' ' 23' ' ' ILE . 60.9 t30 -76.46 -15.58 59.87 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.475 1.11 . . . . 0.0 109.155 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.433 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 89.0 p -63.05 -9.58 10.86 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -120.38 -25.96 5.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.696 167.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -73.74 0.12 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 120.226 1.375 . . . . 0.0 109.204 175.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.77 -33.23 64.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 121.883 2.129 . . . . 0.0 111.969 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HB2' HG23 ' A' ' 64' ' ' THR . 32.6 ttmt -57.62 -56.16 25.47 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.306 172.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.76 -44.19 90.86 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.762 ' HB3' HD11 ' A' ' 6' ' ' LEU . 54.0 mm-40 -64.39 -30.81 71.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.153 0.981 . . . . 0.0 108.698 -170.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.82 -42.63 13.11 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 114.659 -2.591 . . . . 0.0 112.362 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -56.39 -36.93 69.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 123.926 3.057 . . . . 0.0 110.259 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.43 -41.62 55.46 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -70.24 -43.33 70.81 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.601 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.51 -24.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 119.667 1.122 . . . . 0.0 112.732 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -41.15 27.46 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.231 1.378 . . . . 0.0 109.827 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -54.29 -51.32 64.98 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.266 0.939 . . . . 0.0 110.519 166.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 47' ' ' ILE . 1.7 t -53.72 108.96 0.4 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.348 1.459 . . . . 0.0 110.676 -155.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 m -64.23 -49.17 72.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 162.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -92.05 110.78 22.15 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.198 0.599 . . . . 0.0 110.372 -157.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' LYS . 71.4 mttt -71.94 -26.51 62.31 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -153.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 14' ' ' LYS . 42.3 tttt -78.45 92.44 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.833 -172.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 42' ' ' THR . 10.0 mm -85.4 98.81 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -169.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -95.43 129.15 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 125.772 1.629 . . . . 0.0 108.862 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 19' ' ' VAL . 4.3 mm? -116.87 100.52 7.83 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.1 0.96 . . . . 0.0 111.257 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.544 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 12.4 t0 -81.81 113.83 20.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.318 1.847 . . . . 0.0 110.398 -174.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.1 mm? -100.75 23.49 10.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.673 1.579 . . . . 0.0 113.709 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 p -60.25 -30.69 69.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.981 0.809 . . . . 0.0 111.134 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.72 -3.4 58.55 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.55 1.54 . . . . 0.0 112.449 -176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.599 HG13 ' HA ' ' A' ' 22' ' ' ASP . 8.0 t -109.67 85.33 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -162.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 m -80.8 -12.31 59.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.92 1.688 . . . . 0.0 114.646 -166.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -138.55 164.01 30.55 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.751 2.42 . . . . 0.0 107.183 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ttt -158.59 121.24 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.75 172.2 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -56.88 -18.95 15.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.349 1.06 . . . . 0.0 112.198 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.1 70.75 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.59 0.756 . . . . 0.0 110.28 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.29 -49.73 55.27 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.071 0.843 . . . . 0.0 111.915 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -46.12 76.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 O-C-N 121.544 -0.974 . . . . 0.0 109.513 -171.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.3 -14.6 34.31 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.099 -0.834 . . . . 0.0 113.792 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 32' ' ' LYS . 49.4 m -95.27 -22.31 17.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.887 1.275 . . . . 0.0 110.225 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.86 -41.83 9.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 119.157 0.89 . . . . 0.0 110.607 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.04 -32.77 55.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.553 0.741 . . . . 0.0 111.366 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.76 -33.92 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.093 0.957 . . . . 0.0 111.839 174.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 17.3 mm -68.99 -21.5 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.505 0.722 . . . . 0.0 110.499 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -48.94 -53.12 21.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.632 1.106 . . . . 0.0 108.812 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -72.56 -42.56 64.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 116.574 -1.679 . . . . 0.0 111.18 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 11.7 m-20 -59.78 -35.56 74.9 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 121.959 2.163 . . . . 0.0 111.371 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.87 72.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.071 1.349 . . . . 0.0 108.725 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -51.42 -37.53 48.96 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.035 0.934 . . . . 0.0 111.538 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.5 mm -57.65 -41.47 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 118.35 -0.833 . . . . 0.0 109.944 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -93.88 9.72 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.966 1.257 . . . . 0.0 112.695 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.3 43.99 98.65 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.709 1.623 . . . . 0.0 111.835 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 38.6 mmtm -112.86 166.57 11.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.577 1.151 . . . . 0.0 110.567 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -172.8 2.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.394 1.478 . . . . 0.0 110.533 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -168.58 125.25 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.142 1.377 . . . . 0.0 108.43 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.5 mt -144.72 153.6 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 127.236 2.214 . . . . 0.0 106.045 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.31 153.29 31.23 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 p -143.7 165.69 26.95 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.246 1.018 . . . . 0.0 112.806 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.11 34.48 4.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.878 2.071 . . . . 0.0 113.143 173.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.509 HD12 HG23 ' A' ' 103' ' ' ILE . 5.4 mt -68.84 130.74 43.66 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.079 -1.013 . . . . 0.0 109.395 -174.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -63.04 149.09 45.9 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.822 0.82 . . . . 0.0 109.458 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -71.87 -21.59 61.64 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.679 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 t -70.93 -14.38 62.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.136 1.774 . . . . 0.0 112.377 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.75 -38.39 2.06 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.078 0 C-N-CA 126.151 1.781 . . . . 0.0 107.788 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -60.33 -43.84 96.03 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -55.4 -40.23 71.15 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.824 -1.172 . . . . 0.0 112.41 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.07 -50.33 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 -171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.4 -46.34 86.58 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -59.44 -49.06 79.27 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 120.899 -1.125 . . . . 0.0 111.568 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.55 -56.26 23.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.767 2.427 . . . . 0.0 109.879 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -77.01 10.35 2.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.68 0.792 . . . . 0.0 112.286 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 65.55 16.41 10.5 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 127.406 2.282 . . . . 0.0 113.566 174.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.26 -31.67 64.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.706 2.002 . . . . 0.0 110.918 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -36.69 71.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.948 1.249 . . . . 0.0 110.491 -175.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -3.48 4.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.4 pt -131.99 4.86 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.962 1.705 . . . . 0.0 111.501 -172.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.69 -173.5 2.8 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 127.589 2.356 . . . . 0.0 107.868 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -122.37 140.22 52.93 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 123.646 0.778 . . . . 0.0 111.263 161.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.509 HG23 HD12 ' A' ' 84' ' ' LEU . 4.1 mp -127.54 145.85 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.3 p -135.95 -167.51 2.05 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.939 1.295 . . . . 0.0 110.377 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -117.88 -45.54 2.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 127.643 2.377 . . . . 0.0 107.348 -168.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -119.63 148.12 43.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.933 1.293 . . . . 0.0 108.872 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.536 HG11 HG23 ' A' ' 16' ' ' ILE . 5.1 t -56.68 -27.81 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.855 1.262 . . . . 0.0 110.175 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -55.99 -49.0 74.82 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.439 1.096 . . . . 0.0 110.456 173.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -20.89 63.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.798 1.239 . . . . 0.0 111.816 -173.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 CA-C-O 116.813 -1.565 . . . . 0.0 109.494 -177.447 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 28.9 mttt . . . . . 0 N--CA 1.477 0.909 0 N-CA-C 110.206 -0.294 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.79 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -121.86 164.61 17.23 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 127.062 2.145 . . . . 0.0 109.416 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.23 -53.63 2.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.243 1.017 . . . . 0.0 109.826 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.3 mt 67.98 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 131.595 3.958 . . . . 0.0 114.518 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.3 t -143.39 100.08 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.138 2.175 . . . . 0.0 108.217 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.06 101.53 2.24 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.831 -1.168 . . . . 0.0 108.958 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -79.77 -157.85 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.034 1.334 . . . . 0.0 108.543 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.75 -51.02 60.68 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.666 -1.272 . . . . 0.0 110.882 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -138.13 -3.37 1.78 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.97 143.94 39.22 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 120.535 -1.353 . . . . 0.0 107.41 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.97 108.26 20.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 169.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.437 HG22 ' HG2' ' A' ' 18' ' ' ARG . 61.6 mt -77.61 98.45 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.19 84.49 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.719 1.247 . . . . 0.0 107.713 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 5.4 mtm180 -70.31 127.58 33.25 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG2' HD12 ' A' ' 49' ' ' LEU . 77.6 t -90.23 162.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.21 162.09 28.64 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.3 1.84 . . . . 0.0 109.748 163.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 82.59 152.2 10.75 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 124.538 1.066 . . . . 0.0 112.048 170.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -53.76 124.98 16.79 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.558 1.143 . . . . 0.0 109.51 159.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 57' ' ' MET . 0.6 OUTLIER -75.71 112.95 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.263 1.425 . . . . 0.0 108.266 -176.153 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -138.95 176.3 8.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.33 1.062 . . . . 0.0 112.702 -167.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -21.56 34.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.758 1.223 . . . . 0.0 112.706 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -35.88 63.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.402 1.081 . . . . 0.0 108.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.451 HD21 ' CG1' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -84.49 -12.59 53.97 Favored 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 121.732 -0.605 . . . . 0.0 111.137 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -60.74 -6.69 1.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.363 1.039 . . . . 0.0 112.763 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -33.1 4.08 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 120.725 -1.234 . . . . 0.0 112.325 159.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.02 -60.53 3.49 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.521 0.6 . . . . 0.0 110.477 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -54.9 -49.36 71.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 126.298 1.839 . . . . 0.0 111.518 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -51.57 -39.85 58.63 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.94 -53.14 12.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.843 1.257 . . . . 0.0 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.437 ' CB ' HD11 ' A' ' 6' ' ' LEU . 14.6 mm100 -61.42 0.86 0.25 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 127.331 2.253 . . . . 0.0 112.644 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.0 -47.47 2.39 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 115.001 -2.428 . . . . 0.0 113.451 168.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -60.02 -41.0 91.25 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 124.568 3.349 . . . . 0.0 111.021 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -73.96 -39.86 63.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -64.65 -49.61 70.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.047 1.339 . . . . 0.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.34 -32.34 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.428 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -62.64 -55.87 23.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -44.91 93.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.122 0.569 . . . . 0.0 111.814 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.496 ' O ' ' HE2' ' A' ' 77' ' ' LYS . 8.8 t -57.07 123.99 17.17 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.139 0.427 . . . . 0.0 110.173 -151.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -71.64 -20.92 61.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.921 -0.487 . . . . 0.0 110.466 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -107.37 137.92 44.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 119.257 0.935 . . . . 0.0 110.072 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.35 -34.76 36.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.711 -1.131 . . . . 0.0 113.205 -165.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -87.04 94.82 9.73 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.287 0.494 . . . . 0.0 110.425 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -81.98 102.9 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.57 114.76 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 19' ' ' VAL . 4.3 mm? -91.02 126.9 36.24 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 117.099 -1.429 . . . . 0.0 109.124 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 31.0 t0 -100.85 120.08 39.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 129.86 3.264 . . . . 0.0 110.117 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD12 HG21 ' A' ' 54' ' ' VAL . 2.7 mm? -114.41 19.72 16.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.243 1.017 . . . . 0.0 112.808 -172.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -53.67 -38.37 64.09 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.41 0.684 . . . . 0.0 112.384 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -85.4 0.91 50.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.684 1.594 . . . . 0.0 112.791 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.547 HG21 HD12 ' A' ' 51' ' ' LEU . 91.2 t -98.34 96.82 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 119.562 1.074 . . . . 0.0 108.729 -168.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -78.48 -34.88 47.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.043 1.337 . . . . 0.0 113.672 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -136.21 158.71 43.76 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.458 1.503 . . . . 0.0 108.21 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' HG23 ' A' ' 23' ' ' ILE . 4.3 ttt -142.35 122.87 14.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.948 1.299 . . . . 0.0 110.012 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.77 170.44 15.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.483 0.659 . . . . 0.0 110.494 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.8 p -51.7 -29.46 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.647 1.579 . . . . 0.0 112.308 166.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.58 78.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.64 -54.08 40.09 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.425 2.441 . . . . 0.0 111.122 -173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -75.21 -38.56 60.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -174.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.54 -16.79 59.11 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.046 -0.863 . . . . 0.0 112.827 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -90.22 -50.09 6.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.9 -33.05 71.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.002 -1.061 . . . . 0.0 112.251 -171.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.9 -26.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.131 -0.981 . . . . 0.0 111.679 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.89 -39.36 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.368 1.067 . . . . 0.0 108.476 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.31 -37.77 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 123.288 0.635 . . . . 0.0 110.453 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.83 -44.39 63.55 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.385 0.538 . . . . 0.0 110.241 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -67.49 -63.52 1.04 Allowed 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.433 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.56 -45.86 1.66 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.416 1.886 . . . . 0.0 112.202 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.26 -64.09 0.98 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.976 0.91 . . . . 0.0 109.213 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.22 -37.61 64.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.729 1.212 . . . . 0.0 113.19 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.76 -41.37 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 125.981 1.713 . . . . 0.0 108.545 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -6.97 57.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.635 1.174 . . . . 0.0 112.022 177.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.3 22.73 43.2 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.832 1.682 . . . . 0.0 114.699 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 42' ' ' THR . 12.2 mttp -108.3 164.42 12.33 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.19 1.495 . . . . 0.0 110.933 -175.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -91.59 175.1 7.03 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 110.699 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -158.63 128.17 5.71 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.125 -0.984 . . . . 0.0 110.608 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.9 mt -146.5 153.65 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.833 2.453 . . . . 0.0 106.815 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.04 143.48 45.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.08 2.152 . . . . 0.0 107.423 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 90.1 p -129.36 158.81 38.1 Favored 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.714 2.006 . . . . 0.0 110.058 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m 55.89 22.84 5.99 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.221 1.564 . . . . 0.0 115.221 168.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.621 HD12 HG23 ' A' ' 103' ' ' ILE . 10.4 mt -58.41 129.14 40.62 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 125.692 1.597 . . . . 0.0 109.68 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -64.26 161.8 15.92 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.665 0.745 . . . . 0.0 109.705 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.29 -37.65 88.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.83 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -12.41 61.15 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.762 -173.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -104.99 -39.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -63.12 -45.53 91.56 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -57.22 -37.12 71.76 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.284 -0.885 . . . . 0.0 111.873 173.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -50.8 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 -176.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.19 -52.44 64.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.05 -46.13 71.85 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.953 0.901 . . . . 0.0 111.311 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -54.15 -56.83 14.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.276 1.03 . . . . 0.0 108.736 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 p -68.96 9.59 0.38 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 57.12 19.29 4.67 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 112.366 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.18 -29.24 61.67 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.132 1.373 . . . . 0.0 110.168 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -31.18 71.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.498 1.045 . . . . 0.0 111.367 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HE2' HG23 ' A' ' 100' ' ' ILE . 11.5 ptmt -72.95 0.22 11.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.785 -1.102 . . . . 0.0 113.402 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' HE2' ' A' ' 99' ' ' LYS . 17.6 pt -136.45 -5.58 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 119.788 1.177 . . . . 0.0 112.163 -172.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -114.28 -170.65 1.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.706 2.402 . . . . 0.0 108.665 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -136.09 128.27 29.88 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 121.369 -0.832 . . . . 0.0 108.8 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.621 HG23 HD12 ' A' ' 84' ' ' LEU . 5.0 mp -127.5 117.43 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -169.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . 0.25 1.5 p -128.82 174.78 9.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 124.832 1.253 . . . . 0.0 108.431 171.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.18 -63.82 1.13 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -164.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 50.9 p -93.42 137.86 32.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.67 -28.15 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.906 0.883 . . . . 0.0 110.072 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.2 -51.47 67.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.493 1.517 . . . . 0.0 113.348 169.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.99 -16.86 64.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.813 1.188 . . . . 0.0 111.996 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.081 0.952 . . . . 0.0 109.794 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 mttt . . . . . 0 CA--C 1.502 -0.887 0 CA-C-O 121.492 0.663 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -83.29 167.8 17.29 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.403 164.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.2 -45.75 2.93 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.163 0.915 . . . . 0.0 111.619 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 6' ' ' LEU . 98.3 mt 64.24 129.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 131.302 3.841 . . . . 0.0 114.299 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.85 91.89 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 128.03 2.532 . . . . 0.0 105.694 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.21 102.35 1.67 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -160.24 0.22 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.8 -48.99 67.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 120.87 -1.144 . . . . 0.0 109.594 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -143.53 8.8 1.57 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -114.44 149.85 35.63 Favored 'General case' 0 C--N 1.34 0.177 0 O-C-N 120.101 -1.624 . . . . 0.0 108.21 165.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -102.81 107.43 18.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.48 91.98 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.498 ' HB ' HD13 ' A' ' 49' ' ' LEU . 36.9 t -84.72 86.27 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 120.147 -1.596 . . . . 0.0 107.575 173.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.454 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.6 mtp180 -66.02 127.56 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 167.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 49' ' ' LEU . 11.8 t -99.37 145.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -129.25 150.36 50.66 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.23 0.612 . . . . 0.0 109.494 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.25 164.77 33.59 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.15 145.38 37.75 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.604 1.162 . . . . 0.0 107.916 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.409 HG23 ' HG3' ' A' ' 57' ' ' MET . 1.2 tp -91.73 77.55 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 122.833 1.301 . . . . 0.0 108.55 -172.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -109.46 -177.27 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.939 1.296 . . . . 0.0 112.981 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.2 -9.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.115 2.166 . . . . 0.0 114.804 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -86.01 -32.97 21.19 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 120.693 1.588 . . . . 0.0 109.068 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -19.38 59.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -44.68 -27.5 0.5 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 125.576 1.798 . . . . 0.0 113.018 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 p -120.87 -31.72 4.14 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.793 162.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.62 -67.19 0.38 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.373 0.988 . . . . 0.0 110.651 -169.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.589 HD21 HD12 ' A' ' 35' ' ' LEU . 8.5 tt -54.74 -46.33 74.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.785 1.634 . . . . 0.0 109.307 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -48.59 60.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.995 0.809 . . . . 0.0 109.346 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.94 -50.77 72.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.251 1.42 . . . . 0.0 111.215 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 6' ' ' LEU . 4.1 mt-30 -61.02 -11.17 7.35 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.855 0.862 . . . . 0.0 112.999 -177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.589 HD12 HD21 ' A' ' 31' ' ' LEU . 37.3 mt -114.14 -40.63 3.66 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.165 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -55.72 -44.63 77.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 124.162 3.165 . . . . 0.0 109.42 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -74.03 -36.22 64.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -174.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -73.33 -48.14 36.78 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.264 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.47 ' HA ' HG22 ' A' ' 42' ' ' THR . 21.2 mt -56.34 -32.64 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 120.656 1.571 . . . . 0.0 112.212 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -74.36 -14.21 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 111.921 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.2 m -97.07 -47.15 5.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.413 1.885 . . . . 0.0 110.957 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 39' ' ' ILE . 12.2 t -63.38 142.01 58.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.586 1.184 . . . . 0.0 112.382 -147.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.03 -3.45 58.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 127.02 2.128 . . . . 0.0 112.58 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 50.4 mmtt -117.81 145.31 44.64 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.924 1.238 . . . . 0.0 109.522 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -86.24 -36.58 19.32 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.968 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.03 93.44 2.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 121.546 1.976 . . . . 0.0 111.435 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -81.47 103.41 8.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 122.053 2.206 . . . . 0.0 105.445 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 t -101.02 133.67 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.063 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.2 mm? -105.66 146.87 29.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 11.1 t0 -125.76 115.23 19.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.177 1.391 . . . . 0.0 110.157 177.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.41 20.89 15.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.398 1.079 . . . . 0.0 111.731 -163.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.32 62.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.358 1.063 . . . . 0.0 113.063 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -84.03 -12.11 55.69 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.095 0.958 . . . . 0.0 112.753 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.21 105.0 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 -19.65 19.8 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 112.32 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -137.63 150.27 47.26 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.808 1.643 . . . . 0.0 109.466 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG3' HG23 ' A' ' 23' ' ' ILE . 10.7 ttt -139.78 140.61 36.72 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 126.359 1.864 . . . . 0.0 108.399 172.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 59' ' ' SER . 31.5 t70 -117.43 -179.83 3.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.516 1.127 . . . . 0.0 109.132 168.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.434 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 51.1 m -71.53 -12.13 61.22 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.356 1.862 . . . . 0.0 113.661 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -52.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -24.47 -66.57 0.04 OUTLIER Glycine 0 C--O 1.225 -0.448 0 C-N-CA 130.282 3.801 . . . . 0.0 112.812 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.49 -39.82 73.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.185 0.994 . . . . 0.0 111.648 -171.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.27 -13.83 63.09 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.8 1.19 . . . . 0.0 113.085 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -101.82 -7.75 22.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.341 1.456 . . . . 0.0 108.835 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -107.74 -42.86 4.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.418 1.087 . . . . 0.0 111.095 173.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.36 -34.04 49.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 120.246 1.385 . . . . 0.0 110.77 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.61 -35.19 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.775 0.83 . . . . 0.0 110.636 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.07 -23.86 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.532 1.133 . . . . 0.0 110.698 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.0 -49.35 77.13 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.671 1.578 . . . . 0.0 108.25 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -58.26 -64.09 1.04 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 117.306 -1.331 . . . . 0.0 108.496 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -38.69 28.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.834 1.197 . . . . 0.0 113.436 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -55.37 20.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.692 1.197 . . . . 0.0 110.422 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -35.73 54.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.95 1.3 . . . . 0.0 111.603 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.28 -56.31 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 119.781 1.173 . . . . 0.0 107.983 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.64 5.92 29.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.69 0.757 . . . . 0.0 111.631 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.69 45.71 92.02 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 125.872 1.701 . . . . 0.0 111.603 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -101.3 156.53 17.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.836 0.854 . . . . 0.0 109.353 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -83.42 176.31 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.788 0.804 . . . . 0.0 109.017 163.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 4.5 t80 -150.69 129.74 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 127.615 2.366 . . . . 0.0 105.86 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.428 HG23 ' HG2' ' A' ' 102' ' ' LYS . 40.3 mt -146.94 150.3 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 79' ' ' PHE . 79.8 mt -120.35 124.23 45.03 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.784 1.234 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 161.09 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.191 0.996 . . . . 0.0 111.179 -177.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t 53.9 29.75 10.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.765 1.626 . . . . 0.0 114.132 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.3 122.53 16.4 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 120.159 -1.588 . . . . 0.0 109.153 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -61.28 157.24 16.84 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-O 121.702 0.763 . . . . 0.0 109.444 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.61 -35.09 75.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.391 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m -71.34 -10.58 60.0 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.5 mm -115.57 -41.42 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.71 99.86 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.919 -0.488 . . . . 0.0 109.738 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.66 -37.62 73.71 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.149 -0.969 . . . . 0.0 111.953 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.06 -47.03 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.26 -49.82 76.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -59.23 -43.6 92.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 120.179 -1.575 . . . . 0.0 112.099 -178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.52 -60.66 3.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.847 1.659 . . . . 0.0 108.309 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.97 18.82 0.08 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 114.144 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.25 38.82 5.44 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.231 2.212 . . . . 0.0 113.114 -175.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -100.49 -24.21 14.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.089 2.156 . . . . 0.0 109.906 -174.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.0 -49.55 67.37 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.248 0.931 . . . . 0.0 109.608 177.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.49 3.31 0.21 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 128.49 2.716 . . . . 0.0 116.566 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.4 pt -140.24 8.22 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 C-N-CA 125.227 1.411 . . . . 0.0 110.546 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.0 m-85 -132.38 -169.88 2.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.783 3.633 . . . . 0.0 109.451 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.428 ' HG2' HG23 ' A' ' 80' ' ' ILE . 27.0 tttt -127.94 134.82 49.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 124.67 1.188 . . . . 0.0 110.169 173.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.04 130.3 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 125.533 1.771 . . . . 0.0 109.085 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -137.01 -179.59 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.033 1.733 . . . . 0.0 110.543 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 -49.23 6.0 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 120.921 -1.112 . . . . 0.0 109.366 -169.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 p -123.82 159.27 29.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.84 -19.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.552 -0.717 . . . . 0.0 111.272 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.59 -48.02 70.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.025 0.93 . . . . 0.0 110.621 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.92 -18.1 64.06 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.198 0.999 . . . . 0.0 111.917 -171.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.16 1.784 . . . . 0.0 110.323 -178.073 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mttp . . . . . 0 CA--C 1.516 -0.346 0 N-CA-C 106.331 -1.729 . . . . 0.0 106.331 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.744 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.11 152.64 29.36 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.299 1.44 . . . . 0.0 108.169 176.317 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -47.31 3.87 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.087 0.867 . . . . 0.0 110.478 -164.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.6 mt 68.44 125.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 128.764 2.826 . . . . 0.0 113.539 166.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.4 t -147.21 79.11 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 128.531 2.733 . . . . 0.0 106.844 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 74.4 mt-10 -64.89 120.84 13.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.022 -1.674 . . . . 0.0 109.704 170.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -95.22 -145.58 0.27 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.706 2.003 . . . . 0.0 109.627 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -73.88 0.09 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.699 1.2 . . . . 0.0 110.351 168.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -16.45 13.71 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.704 1.202 . . . . 0.0 111.347 -168.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HE2' ' HE3' ' A' ' 46' ' ' LYS . 18.7 ptpt -112.87 126.96 56.02 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.399 1.48 . . . . 0.0 108.12 -168.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . . . -80.46 98.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 166.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -74.16 122.2 26.91 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.75 95.22 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 123.654 1.692 . . . . 0.0 109.148 168.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.58 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.2 mtt-85 -59.94 119.82 8.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.908 162.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.44 147.07 6.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 8.8 mt-30 -126.07 155.53 41.41 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.688 1.195 . . . . 0.0 110.738 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 81.58 161.97 28.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.585 1.564 . . . . 0.0 110.951 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -71.52 153.56 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.894 1.277 . . . . 0.0 108.743 171.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.406 HG23 ' HG3' ' A' ' 57' ' ' MET . 0.9 OUTLIER -113.73 93.73 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 125.34 1.456 . . . . 0.0 111.414 -158.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -144.29 -166.81 2.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.502 1.121 . . . . 0.0 112.763 -171.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.99 -22.3 0.31 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.756 1.622 . . . . 0.0 114.759 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.4 -38.13 63.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.932 1.242 . . . . 0.0 109.011 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.39 -12.36 35.07 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 121.938 -0.476 . . . . 0.0 110.038 178.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 t -57.34 -12.8 2.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.6 p -113.48 -38.25 4.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.27 156.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.98 -69.99 0.12 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.978 0.911 . . . . 0.0 110.537 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.34 -47.0 62.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.035 0.934 . . . . 0.0 110.107 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -49.65 -50.11 44.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.736 0.414 . . . . 0.0 110.846 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.64 -48.86 65.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.216 1.806 . . . . 0.0 111.171 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.489 ' CB ' HD11 ' A' ' 6' ' ' LEU . 1.6 mm-40 -64.74 -4.3 4.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 127.22 2.208 . . . . 0.0 112.996 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.9 -42.75 3.18 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.407 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -69.95 -40.89 75.19 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 121.396 1.907 . . . . 0.0 110.712 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -67.65 -38.36 83.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.08 -37.3 72.43 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.034 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -33.12 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 120.158 1.344 . . . . 0.0 112.985 175.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -59.9 -49.95 75.67 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 m -71.17 -40.05 71.52 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 123.76 0.824 . . . . 0.0 113.109 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -59.14 136.31 57.91 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -156.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t -83.96 -9.79 58.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.76 2.424 . . . . 0.0 112.656 -174.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -120.88 166.74 13.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -172.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -100.08 -41.72 7.03 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.636 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HE3' ' HE2' ' A' ' 14' ' ' LYS 0.258 13.1 ttpt -79.79 96.89 6.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.947 1.249 . . . . 0.0 110.294 -169.43 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -88.83 104.76 15.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.74 99.59 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 125.654 1.581 . . . . 0.0 109.701 -162.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 111.09 22.42 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 123.988 0.915 . . . . 0.0 111.885 -170.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 18.0 t70 -91.44 138.69 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.808 2.043 . . . . 0.0 112.797 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.59 HD12 HG21 ' A' ' 54' ' ' VAL . 3.0 mm? -123.33 20.19 9.7 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -24.09 61.33 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.695 -1.253 . . . . 0.0 112.292 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 58.6 m -72.9 -44.41 61.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.398 -1.439 . . . . 0.0 112.009 170.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.59 HG21 HD12 ' A' ' 51' ' ' LEU . 59.9 t -82.18 120.75 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -154.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.1 m -125.19 -10.42 7.03 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -130.72 150.95 51.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.373 1.469 . . . . 0.0 107.934 163.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.406 ' HG3' HG23 ' A' ' 23' ' ' ILE . 4.2 ttt -142.59 130.62 21.86 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.306 1.842 . . . . 0.0 106.789 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -101.28 170.05 8.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 163.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -61.19 -8.97 4.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.947 -1.095 . . . . 0.0 112.847 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.68 77.04 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -55.19 -54.82 31.61 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 125.715 1.626 . . . . 0.0 112.08 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -72.09 -38.45 69.37 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.209 -2.348 . . . . 0.0 109.371 -178.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.97 -6.31 12.15 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.505 1.526 . . . . 0.0 113.418 170.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 61.3 m -86.9 -65.45 1.01 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 167.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.39 -42.04 98.09 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 118.511 0.596 . . . . 0.0 111.438 -164.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -52.62 -29.01 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -39.62 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-O 121.661 0.743 . . . . 0.0 111.197 175.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.9 -27.59 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 125.608 1.563 . . . . 0.0 109.687 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.56 -47.75 63.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.082 0.953 . . . . 0.0 109.481 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.51 -60.58 3.58 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 117.211 -1.376 . . . . 0.0 110.417 168.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -49.08 -39.08 26.44 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.737 1.153 . . . . 0.0 111.947 -171.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.75 -60.01 4.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 126.987 2.115 . . . . 0.0 109.898 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -41.54 26.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.5 1.12 . . . . 0.0 111.854 174.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mt -60.94 -39.56 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.868 1.213 . . . . 0.0 110.338 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.56 15.94 24.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.903 0.774 . . . . 0.0 112.163 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.6 81.38 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.935 1.731 . . . . 0.0 112.953 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -98.53 163.03 12.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.162 0.981 . . . . 0.0 110.196 -175.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 178.13 6.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.923 1.689 . . . . 0.0 109.312 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -160.09 125.3 3.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.544 1.137 . . . . 0.0 110.294 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 70.7 mt -140.3 149.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 101' ' ' PHE . 2.2 mm? -103.83 149.46 25.03 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 120.145 1.339 . . . . 0.0 109.165 157.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.67 169.52 17.5 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.592 0.757 . . . . 0.0 111.584 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m 52.7 30.18 8.44 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.33 160.36 16.12 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.211 -0.931 . . . . 0.0 108.76 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -109.42 158.24 18.14 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 123.507 0.723 . . . . 0.0 110.297 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -15.89 63.86 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.351 0.596 . . . . 0.0 112.206 -175.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -85.45 -10.44 56.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.539 1.135 . . . . 0.0 112.689 173.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.2 mm -121.74 -37.43 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.85 1.66 . . . . 0.0 109.177 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -55.28 -50.19 70.18 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 122.823 1.297 . . . . 0.0 108.978 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -54.07 -38.23 65.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.765 1.626 . . . . 0.0 111.576 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.17 -50.3 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 -171.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.87 -48.18 70.3 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.79 -48.34 82.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.894 -1.129 . . . . 0.0 110.956 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -51.98 -44.97 64.29 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.794 2.038 . . . . 0.0 110.035 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -87.35 5.74 37.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.8 27.85 14.67 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 127.37 2.268 . . . . 0.0 113.986 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -84.51 -38.46 20.04 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.605 1.562 . . . . 0.0 110.719 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.86 65.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.999 -1.063 . . . . 0.0 111.664 -171.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.492 ' HE2' HG23 ' A' ' 100' ' ' ILE . 12.6 ptmt -74.52 -20.01 60.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.43 1.092 . . . . 0.0 112.723 174.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.492 HG23 ' HE2' ' A' ' 99' ' ' LYS . 18.5 pt -118.44 -37.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 119.83 1.195 . . . . 0.0 110.401 -166.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CD2' HD21 ' A' ' 81' ' ' LEU . 4.2 m-30 -72.0 -174.96 1.33 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.572 1.549 . . . . 0.0 110.114 163.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -119.42 153.35 35.36 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.33 134.29 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 165.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.1 p -124.65 -172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.721 1.609 . . . . 0.0 107.375 156.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.05 -33.07 5.18 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 124.233 1.013 . . . . 0.0 110.549 -164.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -128.18 144.95 51.16 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.36 -21.66 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.397 167.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -49.8 76.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.089 2.156 . . . . 0.0 112.155 169.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.7 -27.02 63.68 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.396 1.453 . . . . 0.0 112.2 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.551 1.541 . . . . 0.0 110.959 -172.528 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt . . . . . 0 N--CA 1.451 -0.406 0 CA-C-O 122.187 0.994 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.522 ' CD2' HG12 ' A' ' 17' ' ' VAL . 10.8 mt -120.19 165.08 15.27 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 127.736 2.414 . . . . 0.0 109.144 168.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -45.92 2.51 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.774 1.23 . . . . 0.0 112.637 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt 57.98 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 130.44 3.496 . . . . 0.0 115.196 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.34 86.95 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 127.143 2.177 . . . . 0.0 108.641 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.35 120.07 13.24 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.054 -1.654 . . . . 0.0 108.159 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -145.55 0.13 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.819 1.247 . . . . 0.0 109.767 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -67.29 -61.99 1.64 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.661 1.584 . . . . 0.0 110.095 166.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.68 -7.79 1.9 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.28 1.432 . . . . 0.0 111.438 -167.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.43 140.45 44.65 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.886 1.674 . . . . 0.0 107.119 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -104.25 105.43 15.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.64 126.34 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 6' ' ' LEU . 38.5 t -114.16 86.3 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.764 1.226 . . . . 0.0 109.126 173.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -78.53 123.98 27.66 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.05 151.6 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.177 0.991 . . . . 0.0 110.298 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -127.17 134.73 50.12 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.902 166.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.31 159.39 25.12 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.77 149.01 32.25 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.593 0.711 . . . . 0.0 109.832 156.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.407 HG22 ' CG1' ' A' ' 54' ' ' VAL . 13.4 tt -104.06 140.23 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.413 2.285 . . . . 0.0 106.996 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -175.72 -175.89 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 120.775 -1.203 . . . . 0.0 112.443 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.82 58.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.888 -1.054 . . . . 0.0 111.916 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.47 -28.11 69.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.249 1.386 . . . . 0.0 112.185 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -117.73 -0.41 11.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 112.28 -174.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.2 p -51.46 -10.48 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 161.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -120.85 -32.94 3.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 115.913 -1.994 . . . . 0.0 113.932 151.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -68.33 0.19 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 119.853 1.206 . . . . 0.0 110.668 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.47 -40.42 78.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.235 1.414 . . . . 0.0 111.621 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' A' ' 64' ' ' THR . 20.1 ttpt -59.1 -47.32 85.69 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 123.127 0.571 . . . . 0.0 109.839 -176.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.48 -43.71 63.28 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.401 0.68 . . . . 0.0 109.56 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.08 -11.59 9.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.042 0.937 . . . . 0.0 111.594 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.6 mt -105.67 -50.62 3.16 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 115.638 -2.125 . . . . 0.0 110.436 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -64.89 -33.96 77.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 123.91 3.05 . . . . 0.0 111.551 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.86 -46.2 75.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.2 -49.8 66.07 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.749 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 mt -50.95 -28.02 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 125.14 1.376 . . . . 0.0 112.312 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -48.09 25.46 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.902 0.773 . . . . 0.0 110.241 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -55.05 -46.64 75.37 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.64 1.176 . . . . 0.0 111.564 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 115.47 3.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 122.649 1.214 . . . . 0.0 111.646 -152.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -14.7 62.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.338 2.255 . . . . 0.0 113.95 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.694 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 6.9 mptt -98.11 169.4 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.069 1.748 . . . . 0.0 109.338 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -115.06 -31.74 5.95 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -79.86 94.99 5.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.411 1.46 . . . . 0.0 109.287 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.8 mm -89.34 102.74 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 107' ' ' VAL . 3.5 t -105.06 125.14 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.94 143.75 26.4 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-O 117.098 -1.429 . . . . 0.0 107.705 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.46 ' HA ' ' OG ' ' A' ' 82' ' ' SER . 13.8 t70 -113.05 122.89 48.95 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 130.714 3.606 . . . . 0.0 107.869 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -118.21 23.76 11.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.657 0.783 . . . . 0.0 110.749 -171.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -30.44 71.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.426 -0.796 . . . . 0.0 111.48 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.6 m -81.56 -10.57 59.42 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.33 -1.481 . . . . 0.0 111.623 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.407 ' CG1' HG22 ' A' ' 23' ' ' ILE . 47.7 t -88.89 84.55 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -171.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.446 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 2.5 m -70.7 -22.5 62.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.541 1.137 . . . . 0.0 113.41 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -147.89 158.7 44.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.588 2.355 . . . . 0.0 107.246 -176.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.455 ' HB2' HD12 ' A' ' 88' ' ' ILE . 2.5 ttt -144.43 125.49 14.49 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.36 1.464 . . . . 0.0 107.478 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.09 158.41 22.44 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -52.02 -8.42 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.235 2.614 . . . . 0.0 114.771 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.4 -26.17 13.69 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.373 1.469 . . . . 0.0 109.742 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.88 -49.3 80.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.71 -42.14 98.55 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 121.938 -0.742 . . . . 0.0 109.896 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.91 -9.55 47.1 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.433 1.492 . . . . 0.0 112.654 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 32' ' ' LYS . 52.2 m -107.66 0.21 22.32 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 126.925 2.09 . . . . 0.0 110.381 -176.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.8 mt -118.82 -32.21 4.58 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.095 0.958 . . . . 0.0 110.058 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.98 -41.47 83.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -64.85 -29.14 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.581 1.553 . . . . 0.0 112.451 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.14 -18.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.454 0.701 . . . . 0.0 109.801 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.22 -54.52 16.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.323 0.965 . . . . 0.0 108.692 168.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -56.39 -66.31 0.46 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 116.865 -1.541 . . . . 0.0 110.081 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -41.14 -44.4 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 120.842 1.655 . . . . 0.0 112.591 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -59.29 4.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 110.243 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -31.78 61.43 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.821 1.648 . . . . 0.0 111.938 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.2 mt -57.77 -48.18 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.794 1.634 . . . . 0.0 108.585 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.55 11.56 30.51 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.326 0.651 . . . . 0.0 112.025 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.91 76.25 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.134 1.35 . . . . 0.0 113.629 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -92.55 158.68 15.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.06 -177.45 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.164 0.586 . . . . 0.0 110.536 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -158.06 130.91 7.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.471 1.108 . . . . 0.0 110.212 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.8 mt -144.09 156.73 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.39 2.276 . . . . 0.0 107.454 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.23 141.34 48.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.534 1.533 . . . . 0.0 108.592 171.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 59.5 p -128.83 166.18 19.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.792 2.037 . . . . 0.0 111.174 -177.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m 50.62 30.19 4.68 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.137 1.775 . . . . 0.0 114.214 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.445 HD12 HG23 ' A' ' 103' ' ' ILE . 7.0 mt -66.92 130.12 42.11 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.482 -1.386 . . . . 0.0 110.238 -170.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 55' ' ' SER . 55.5 mttt -65.91 147.79 52.81 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.531 169.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.09 -39.89 83.59 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.469 1.106 . . . . 0.0 108.896 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 m -66.89 -12.37 59.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.486 0.714 . . . . 0.0 112.615 -172.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 57' ' ' MET . 18.5 mm -113.33 -41.99 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 128.207 2.603 . . . . 0.0 107.762 -174.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -39.4 93.02 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.897 0.879 . . . . 0.0 109.145 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -55.93 -54.64 42.23 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.32 165.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -58.79 -41.01 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 108.977 -164.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -51.68 -53.48 38.53 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 172.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -64.6 -35.7 81.86 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.452 -1.405 . . . . 0.0 111.771 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 mp -61.36 -18.33 58.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.297 1.039 . . . . 0.0 112.328 170.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -115.62 18.52 15.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.409 1.484 . . . . 0.0 111.242 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 51.01 27.69 3.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.912 2.485 . . . . 0.0 114.28 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -30.93 22.06 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -34.42 77.8 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.444 1.02 . . . . 0.0 109.864 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -63.38 -21.08 66.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.672 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.77 8.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 121.817 2.099 . . . . 0.0 112.856 -165.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -128.13 -171.19 2.39 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 129.821 3.248 . . . . 0.0 107.903 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -125.96 147.13 49.59 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 121.353 -0.842 . . . . 0.0 109.55 163.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 84' ' ' LEU . 4.7 mp -123.79 129.68 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 O-C-N 125.963 2.039 . . . . 0.0 106.224 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.1 p -129.52 172.06 11.94 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.134 1.773 . . . . 0.0 109.983 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.01 -50.91 10.34 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 121.391 -0.818 . . . . 0.0 110.209 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.6 p -119.96 156.41 30.89 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.641 ' HA ' HG11 ' A' ' 48' ' ' VAL . 34.2 m -59.75 -20.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 110.583 167.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.07 -27.79 24.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.557 1.943 . . . . 0.0 112.332 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.63 -21.12 65.4 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.423 1.011 . . . . 0.0 111.633 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 CA-C-O 117.963 -1.017 . . . . 0.0 111.201 177.391 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' HD23 ' A' ' 6' ' ' LEU . 4.5 mttp . . . . . 0 CA--C 1.514 -0.43 0 N-CA-C 106.775 -1.565 . . . . 0.0 106.775 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -118.24 130.27 55.97 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.628 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.86 -43.84 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 128.049 2.54 . . . . 0.0 109.126 -166.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.5 mt 60.99 121.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 129.319 3.048 . . . . 0.0 113.074 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.08 90.73 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 128.084 2.554 . . . . 0.0 107.839 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.1 120.19 11.6 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.397 -0.815 . . . . 0.0 108.885 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.43 -148.17 0.27 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.491 1.117 . . . . 0.0 109.885 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -77.0 -47.37 20.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.958 1.303 . . . . 0.0 110.099 -168.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -142.32 0.1 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.005 0.907 . . . . 0.0 112.408 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -109.95 138.55 46.16 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB1' ' HZ ' ' A' ' 38' ' ' PHE . . . -85.85 108.77 18.29 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 167.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.6 mt -78.03 129.53 37.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -117.2 83.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 12.3 mtp180 -66.49 130.72 44.13 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.34 147.2 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -128.98 143.43 50.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.07 143.84 15.53 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.001 1.286 . . . . 0.0 110.46 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.25 148.06 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.192 1.797 . . . . 0.0 109.307 159.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 57' ' ' MET . 5.7 tp -109.38 127.46 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -167.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -147.73 -175.29 4.81 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.443 1.097 . . . . 0.0 111.37 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.08 63.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.845 2.058 . . . . 0.0 114.99 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.66 -35.58 29.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 120.322 1.419 . . . . 0.0 109.487 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.78 -13.11 37.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 -165.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.1 p -63.75 0.99 0.68 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 130.581 3.552 . . . . 0.0 114.24 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -120.56 -25.3 5.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.883 159.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.69 -66.66 0.52 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.625 1.102 . . . . 0.0 111.723 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 31' ' ' LEU . 7.0 tt -49.76 -45.38 49.48 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.027 1.285 . . . . 0.0 110.255 176.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -55.48 -50.86 68.81 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.83 -50.74 72.28 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.952 1.301 . . . . 0.0 110.367 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -48.27 -43.26 32.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 125.084 1.49 . . . . 0.0 108.603 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.23 -48.25 8.71 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.137 -1.411 . . . . 0.0 109.852 -168.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -62.22 -32.38 73.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 121.911 2.141 . . . . 0.0 111.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -67.62 -48.79 65.75 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' HZ ' ' HB1' ' A' ' 15' ' ' ALA . 62.5 t80 -73.59 -38.61 65.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -172.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.05 -36.83 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 119.846 1.203 . . . . 0.0 111.467 169.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -53.16 58.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 173.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 m -53.56 -54.84 31.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.584 1.153 . . . . 0.0 111.794 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.4 t -72.36 126.5 29.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -137.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 m -59.5 -11.37 4.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.177 1.791 . . . . 0.0 113.532 170.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -107.44 166.08 10.92 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 119.654 1.116 . . . . 0.0 109.752 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -110.3 -41.41 4.4 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-O 116.981 -1.485 . . . . 0.0 111.037 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' HG13 ' A' ' 47' ' ' ILE . 4.2 mtmm -70.37 145.43 51.13 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 120.835 1.652 . . . . 0.0 110.678 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 78' ' ' GLU . 49.7 mt -137.69 93.21 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.94 104.84 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.16 155.3 23.84 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.479 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.5 t0 -133.6 107.97 8.3 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.851 1.66 . . . . 0.0 107.298 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.07 19.63 20.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.46 1.504 . . . . 0.0 111.178 -167.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 t -51.59 -30.88 22.74 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 175.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -98.03 -5.38 34.11 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.982 1.713 . . . . 0.0 112.268 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -83.14 89.6 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -80.83 -25.01 38.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.025 -1.047 . . . . 0.0 113.007 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -136.14 156.87 48.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.419 ' HG3' ' CG2' ' A' ' 23' ' ' ILE . 10.5 ttt -147.4 138.39 23.63 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 107.544 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.84 174.59 5.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.674 0.79 . . . . 0.0 109.43 166.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m -51.92 -29.02 18.4 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.547 1.139 . . . . 0.0 112.321 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.41 86.33 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.904 0.882 . . . . 0.0 109.46 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.22 59.76 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 125.31 1.433 . . . . 0.0 110.635 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.79 -52.97 46.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.259 1.424 . . . . 0.0 108.928 -172.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.422 ' HA2' HG12 ' A' ' 66' ' ' VAL . . . -60.45 -24.34 61.5 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.873 0.749 . . . . 0.0 111.475 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -86.46 -2.06 58.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.597 1.559 . . . . 0.0 111.354 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -117.89 -41.89 2.87 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 HG12 ' HA2' ' A' ' 63' ' ' GLY . 6.0 p -65.35 -20.27 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.41 0.624 . . . . 0.0 111.916 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.8 -40.63 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 121.399 -0.813 . . . . 0.0 110.629 167.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mm -69.06 -31.38 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.259 1.023 . . . . 0.0 109.035 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -54.31 -29.71 48.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.88 -1.138 . . . . 0.0 111.319 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -82.96 -62.2 1.66 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 115.821 -2.037 . . . . 0.0 109.32 164.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -44.94 -42.12 7.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 122.21 2.277 . . . . 0.0 113.764 -171.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.66 -58.09 9.43 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.799 2.04 . . . . 0.0 109.586 173.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.69 58.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.979 1.712 . . . . 0.0 113.319 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -61.11 -41.38 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 121.214 1.824 . . . . 0.0 108.482 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.64 12.58 16.43 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.661 0.664 . . . . 0.0 112.168 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.72 48.0 87.29 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 125.394 1.473 . . . . 0.0 112.855 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -120.5 167.83 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.791 0.796 . . . . 0.0 111.021 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -89.87 -175.33 4.58 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 128.012 2.525 . . . . 0.0 111.133 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.17 124.16 0.32 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.798 2.039 . . . . 0.0 108.049 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.3 mt -144.52 144.29 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -106.51 138.67 42.27 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.789 1.236 . . . . 0.0 109.533 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 164.89 27.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.825 0.45 . . . . 0.0 110.884 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t 45.01 44.96 8.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.353 1.461 . . . . 0.0 111.467 -170.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 103' ' ' ILE . 20.0 mt -71.42 124.17 24.0 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.43 155.03 22.71 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-O 122.906 1.336 . . . . 0.0 109.768 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.37 -29.6 67.42 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.909 -1.95 . . . . 0.0 109.84 -174.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -79.19 -4.69 51.74 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.652 1.181 . . . . 0.0 112.109 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.83 -39.23 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 124.901 1.28 . . . . 0.0 108.585 -172.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.7 t -55.8 -47.47 77.07 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.266 1.026 . . . . 0.0 108.649 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -60.32 -37.21 79.91 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 120.676 -1.265 . . . . 0.0 113.258 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.66 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.3 -32.4 66.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.819 171.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -69.67 -49.53 52.66 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 122.58 2.446 . . . . 0.0 111.924 174.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.65 -23.55 6.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.011 1.724 . . . . 0.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -120.11 27.96 8.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.635 1.574 . . . . 0.0 111.666 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 46.34 44.39 12.58 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.707 2.403 . . . . 0.0 114.537 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -112.17 -42.62 3.69 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 128.22 2.608 . . . . 0.0 108.38 -170.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -35.47 67.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 110.332 172.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -7.68 47.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.1 pt -134.0 -26.29 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.481 1.113 . . . . 0.0 112.181 -169.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.8 m-30 -74.86 -169.28 0.86 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.157 1.783 . . . . 0.0 109.872 169.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -133.39 134.34 43.56 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 119.094 0.861 . . . . 0.0 109.251 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 84' ' ' LEU . 4.1 mp -124.23 127.59 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 124.7 1.25 . . . . 0.0 108.275 -169.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 p -123.5 173.53 7.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 127.031 2.132 . . . . 0.0 109.075 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.58 -71.35 0.67 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 p -93.4 153.51 18.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.456 1.502 . . . . 0.0 108.352 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.84 -14.24 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.143 167.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -75.16 -22.32 58.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.574 1.95 . . . . 0.0 112.24 170.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -2.04 45.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.1 0.96 . . . . 0.0 111.863 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.387 0 CA-C-O 116.95 -1.5 . . . . 0.0 113.327 -165.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.497 -1.058 0 CA-C-O 120.869 0.366 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.76 133.97 40.65 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.26 -16.41 19.42 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.005 1.322 . . . . 0.0 111.761 -168.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.2 mt 35.16 119.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.937 1 C-N-CA 132.412 4.285 . . . . 0.0 115.153 169.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.96 85.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 C-N-CA 127.842 2.457 . . . . 0.0 106.2 -174.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.66 112.64 3.76 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 6.3 tm0? -79.75 -147.62 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.96 -60.28 2.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.402 -1.436 . . . . 0.0 109.778 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -139.6 3.31 2.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 122.616 1.198 . . . . 0.0 111.527 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 14.3 ptmt -119.98 140.93 50.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 130.636 3.574 . . . . 0.0 106.098 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -107.97 109.97 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.918 1.287 . . . . 0.0 108.193 -176.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.401 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 34.8 mt -84.69 105.25 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.74 96.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 162.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 6.0 mtm180 -68.9 124.6 24.15 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 161.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 49' ' ' LEU . 69.7 t -86.23 148.26 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 171.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -113.51 154.31 27.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 154.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.67 150.01 13.46 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.74 1.638 . . . . 0.0 112.295 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -55.36 173.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 129.273 3.029 . . . . 0.0 113.298 167.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.428 HG22 ' CG1' ' A' ' 54' ' ' VAL . 14.9 tt -136.02 115.0 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 120.102 -1.624 . . . . 0.0 112.16 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.76 -168.99 3.14 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 110.317 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.03 -33.09 64.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.333 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.02 -34.7 79.07 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 121.351 1.887 . . . . 0.0 110.833 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -98.96 -6.73 28.18 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -170.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 8.7 t -68.0 -13.1 61.91 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.021 2.128 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -106.81 -26.49 11.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 119.973 1.26 . . . . 0.0 111.004 163.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -61.65 1.71 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 119.227 0.921 . . . . 0.0 110.133 -175.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.9 tp -53.1 -44.24 67.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.291 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 28' ' ' SER . 24.3 ttmt -54.6 -52.87 60.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.19 0.596 . . . . 0.0 110.829 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.59 -41.0 80.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -58.88 -35.25 72.7 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.998 0.919 . . . . 0.0 109.179 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.81 -46.04 9.79 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-O 115.412 -2.232 . . . . 0.0 111.342 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -56.56 -35.63 68.38 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 123.481 2.855 . . . . 0.0 110.785 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -79.05 -37.6 38.56 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.899 0.879 . . . . 0.0 110.519 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -70.82 -49.7 43.51 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.374 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.469 ' HA ' HG22 ' A' ' 42' ' ' THR . 16.8 mt -49.27 -42.21 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.393 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -59.16 -37.94 78.54 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.416 0.553 . . . . 0.0 111.102 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.7 m -71.53 -58.16 3.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.053 0.941 . . . . 0.0 111.622 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 39' ' ' ILE . 12.1 t -58.74 118.47 5.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.444 1.116 . . . . 0.0 111.299 -145.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 m -60.02 -32.2 70.66 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.877 0.871 . . . . 0.0 111.899 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.69 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 38.4 mmtm -79.06 160.43 27.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 124.297 1.039 . . . . 0.0 108.853 -175.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -106.21 -39.66 5.87 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 117.873 -1.06 . . . . 0.0 111.838 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -76.47 98.26 4.55 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 116.809 -1.567 . . . . 0.0 110.266 -176.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -83.43 102.23 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 121.243 1.838 . . . . 0.0 107.319 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 71.0 t -96.42 120.96 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 128.442 2.697 . . . . 0.0 107.823 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.434 HD12 ' CG2' ' A' ' 19' ' ' VAL . 3.9 mm? -111.0 108.99 18.91 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 123.169 0.588 . . . . 0.0 111.395 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 11.7 t70 -79.47 115.98 19.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 116.305 -1.807 . . . . 0.0 111.587 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.283 0.8 OUTLIER -102.81 22.15 14.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 121.943 2.156 . . . . 0.0 115.454 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -69.43 -23.24 63.66 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.844 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -81.4 -35.64 30.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 120.202 1.364 . . . . 0.0 110.934 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' HG22 ' A' ' 23' ' ' ILE . 58.3 t -60.65 95.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.886 -168.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.6 m -93.23 -7.23 45.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.48 146.99 30.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.422 ' HG3' HG23 ' A' ' 23' ' ' ILE . 10.6 ttt -136.87 153.1 50.86 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.988 0.915 . . . . 0.0 108.997 169.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -133.39 169.24 17.23 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.046 1.738 . . . . 0.0 108.364 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -34.88 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 1 C-N-CA 131.896 4.078 . . . . 0.0 113.495 165.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.55 41.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -37.23 -59.98 1.14 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 128.855 3.122 . . . . 0.0 113.639 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.1 -30.13 67.26 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.854 -2.557 . . . . 0.0 110.758 -169.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.427 ' HA2' HG12 ' A' ' 66' ' ' VAL . . . -63.35 -30.76 78.54 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.724 1.154 . . . . 0.0 112.196 167.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 33.7 m -72.79 -35.39 67.36 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 126.881 2.073 . . . . 0.0 108.161 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.43 -46.04 15.18 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.276 0.489 . . . . 0.0 110.765 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.427 HG12 ' HA2' ' A' ' 63' ' ' GLY . 4.2 p -74.37 -12.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.014 -1.054 . . . . 0.0 112.76 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.27 -40.89 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.186 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mm -67.83 -27.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 124.221 1.009 . . . . 0.0 109.212 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.62 -16.64 40.53 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.426 -0.796 . . . . 0.0 111.253 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -82.87 -61.51 1.85 Allowed 'General case' 0 C--O 1.22 -0.464 0 O-C-N 120.274 -1.516 . . . . 0.0 110.766 156.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -47.4 -47.06 26.6 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.026 1.739 . . . . 0.0 114.03 -170.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.12 -50.65 72.15 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.665 1.586 . . . . 0.0 108.636 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -51.28 61.55 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.322 -1.323 . . . . 0.0 110.911 173.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.87 -46.17 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 120.18 1.354 . . . . 0.0 109.641 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.436 ' O ' ' HE2' ' A' ' 77' ' ' LYS . 1.8 t-20 -88.7 1.13 55.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.007 0.432 . . . . 0.0 111.818 -171.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.89 32.63 48.97 Favored Glycine 0 N--CA 1.443 -0.898 0 O-C-N 121.657 -0.652 . . . . 0.0 112.478 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' A' ' 75' ' ' ASN . 62.0 mmtt -110.84 149.49 30.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.03 0.915 . . . . 0.0 108.556 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -85.57 175.95 8.49 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.055 1.342 . . . . 0.0 109.309 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -150.12 132.0 15.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 120.721 -1.237 . . . . 0.0 109.309 -172.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 mt -145.55 153.85 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -119.59 143.31 47.71 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 168.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 m -142.93 162.01 36.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.514 1.125 . . . . 0.0 108.462 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m 55.44 70.37 0.64 Allowed 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 141.86 31.55 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 121.958 0.885 . . . . 0.0 110.177 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -72.44 150.57 43.22 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 107.759 168.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.22 -41.36 71.95 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -62.73 -17.51 60.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.151 1.38 . . . . 0.0 112.862 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.8 mm -117.33 -39.6 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 C-N-CA 125.74 1.616 . . . . 0.0 107.552 -167.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -43.25 99.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -58.66 -37.84 76.84 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.54 170.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -66.38 -47.13 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 -172.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.79 -50.81 69.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.49 -51.59 68.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.502 1.121 . . . . 0.0 111.418 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 mt -46.25 -58.94 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 127.568 2.347 . . . . 0.0 109.439 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.68 1.82 9.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.95 27.06 4.52 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 127.649 2.38 . . . . 0.0 111.95 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -38.33 38.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 125.265 1.426 . . . . 0.0 110.171 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -30.19 70.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 120.904 -1.123 . . . . 0.0 111.192 -169.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.81 -6.02 41.98 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.305 1.842 . . . . 0.0 114.254 176.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -127.95 -14.81 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.596 1.158 . . . . 0.0 111.717 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.71 -178.09 3.55 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.936 2.495 . . . . 0.0 109.868 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -113.39 133.88 54.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -128.91 134.58 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.85 174.08 10.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.074 1.75 . . . . 0.0 109.864 175.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -44.35 10.09 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 123.59 1.662 . . . . 0.0 110.783 -165.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.0 p -125.01 158.84 32.71 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.1 m -58.96 -33.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.22 -37.92 70.33 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.679 1.192 . . . . 0.0 112.828 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -77.26 -8.11 57.05 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.425 -0.797 . . . . 0.0 112.169 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.5 1.12 . . . . 0.0 108.728 176.708 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tttp . . . . . 0 CA--C 1.506 -0.723 0 CA-C-O 121.916 0.865 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -123.41 176.1 6.35 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 165.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 -42.38 2.49 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.682 0.674 . . . . 0.0 111.311 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.7 mt 64.91 124.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 129.243 3.017 . . . . 0.0 113.116 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.95 87.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 127.19 2.196 . . . . 0.0 105.923 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -61.61 113.25 2.6 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.598 -1.314 . . . . 0.0 108.126 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.69 -154.4 0.18 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.89 2.076 . . . . 0.0 108.069 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.32 -56.52 19.5 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.812 1.245 . . . . 0.0 109.806 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.59 11.28 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -117.75 147.86 42.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.057 -1.027 . . . . 0.0 109.242 165.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.29 109.0 20.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.8 mt -77.46 87.5 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.615 ' HB ' HD13 ' A' ' 49' ' ' LEU . 31.1 t -86.4 90.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 123.819 1.771 . . . . 0.0 108.459 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -67.62 116.79 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 49' ' ' LEU . 49.4 t -98.62 143.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 120.698 1.59 . . . . 0.0 108.47 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -132.84 150.12 52.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.555 1.142 . . . . 0.0 111.705 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.15 150.11 5.29 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.511 1.529 . . . . 0.0 111.393 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.39 143.28 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 109.908 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG23 ' HG3' ' A' ' 57' ' ' MET . 14.9 tt -103.97 116.63 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.522 0.677 . . . . 0.0 110.036 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -150.66 -179.76 7.52 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.212 1.005 . . . . 0.0 111.869 -155.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -16.38 9.34 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.121 -1.612 . . . . 0.0 112.982 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -37.1 27.19 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.547 1.539 . . . . 0.0 108.369 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -76.72 -14.51 59.94 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.693 0.797 . . . . 0.0 109.043 -178.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.84 -18.64 5.1 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 124.774 1.296 . . . . 0.0 113.14 -166.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 p -121.08 -22.76 6.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 116.997 -1.478 . . . . 0.0 112.977 165.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.29 -69.22 0.28 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.155 1.343 . . . . 0.0 108.272 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.14 -36.55 80.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -57.29 -45.46 84.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.43 -1.271 . . . . 0.0 109.636 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.78 -50.5 56.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.991 1.268 . . . . 0.0 109.763 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.729 ' HB3' HD11 ' A' ' 6' ' ' LEU . 19.0 mm-40 -61.1 -8.01 3.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.098 1.759 . . . . 0.0 112.212 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.71 -49.54 2.54 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 115.03 -2.414 . . . . 0.0 111.707 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -54.37 -36.83 64.29 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 123.992 3.087 . . . . 0.0 110.321 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -72.04 -52.13 18.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -64.1 -43.67 94.66 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.074 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.3 OUTLIER -47.78 -35.11 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.557 170.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.6 p -68.73 -50.4 51.0 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.232 1.378 . . . . 0.0 109.538 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.83 -43.64 98.25 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.809 0.844 . . . . 0.0 112.411 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 39' ' ' ILE . 9.7 t -59.98 130.07 44.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.468 1.127 . . . . 0.0 110.405 -151.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -79.7 -6.28 56.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.859 1.664 . . . . 0.0 111.755 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -119.15 150.21 40.43 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.89 1.276 . . . . 0.0 108.761 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -34.21 13.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 118.456 -0.783 . . . . 0.0 113.055 -170.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -78.38 91.9 4.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 117.207 -1.377 . . . . 0.0 110.441 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -83.14 98.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.54 132.66 39.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.615 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.2 mm? -122.83 110.51 15.54 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.332 -169.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -100.06 126.87 46.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.48 1.912 . . . . 0.0 111.282 -170.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.84 18.91 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.911 0.884 . . . . 0.0 113.026 -169.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.0 p -63.03 -25.01 68.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.538 -0.726 . . . . 0.0 112.116 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -78.95 -41.16 29.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.75 -1.219 . . . . 0.0 109.994 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -73.09 112.78 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 125.168 1.387 . . . . 0.0 110.297 -166.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -108.42 -26.95 10.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -167.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -110.69 171.32 7.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.069 1.747 . . . . 0.0 107.704 167.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.426 ' HG3' HG23 ' A' ' 23' ' ' ILE . 13.4 ttt -160.59 119.97 2.7 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.285 1.034 . . . . 0.0 109.103 170.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -84.79 166.97 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.302 1.041 . . . . 0.0 110.444 170.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.418 ' HA ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -44.17 -38.23 3.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.699 2.0 . . . . 0.0 112.759 161.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.27 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.283 0.633 . . . . 0.0 110.755 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.24 -59.06 8.31 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.55 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.57 -41.39 96.31 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.0 -171.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.66 -22.92 48.21 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.02 0.827 . . . . 0.0 113.268 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -100.36 -12.73 19.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 126.665 1.986 . . . . 0.0 110.239 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -96.73 -42.24 8.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.039 0.936 . . . . 0.0 110.037 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.67 -26.97 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.169 -1.582 . . . . 0.0 111.538 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.57 -35.88 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.905 1.282 . . . . 0.0 111.297 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.0 mm -69.57 -27.23 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.297 -173.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -49.9 64.49 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.12 1.327 . . . . 0.0 108.572 170.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -65.56 -64.13 0.93 Allowed 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 -41.54 4.57 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.111 1.364 . . . . 0.0 113.73 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -60.76 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.915 0.886 . . . . 0.0 109.266 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.43 -41.37 60.76 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 0.0 112.102 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.42 -43.07 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 128.702 2.801 . . . . 0.0 108.437 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -93.21 6.01 49.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.828 1.251 . . . . 0.0 112.068 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.52 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.847 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -105.74 168.74 8.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.74 1.616 . . . . 0.0 109.71 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -116.22 165.77 12.79 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.568 1.547 . . . . 0.0 110.373 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -150.23 124.91 9.73 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.211 1.004 . . . . 0.0 108.714 -169.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 102' ' ' LYS . 57.1 mt -142.56 144.73 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.56 154.15 19.1 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 119.722 1.146 . . . . 0.0 110.133 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 p -141.93 163.83 31.82 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.14 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.97 49.95 3.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.399 1.88 . . . . 0.0 113.48 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 103' ' ' ILE . 13.3 mt -75.23 151.95 38.37 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.698 -1.251 . . . . 0.0 109.541 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -94.62 153.52 17.8 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.833 0.453 . . . . 0.0 110.564 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.73 -16.63 64.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.653 1.181 . . . . 0.0 112.66 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -88.42 -8.32 55.16 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.764 -0.585 . . . . 0.0 111.804 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.78 -41.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.46 1.504 . . . . 0.0 107.952 -161.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -46.81 78.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -57.43 -39.55 76.45 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 124.545 1.138 . . . . 0.0 111.142 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.2 -50.15 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.57 -51.1 71.34 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -49.64 -54.16 20.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.284 1.034 . . . . 0.0 110.805 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.63 -52.81 53.81 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.201 2.2 . . . . 0.0 109.645 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -68.86 4.39 1.51 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.66 32.45 22.18 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.347 1.459 . . . . 0.0 110.978 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.78 19.33 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.697 -1.252 . . . . 0.0 109.817 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.81 62.98 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.019 -1.676 . . . . 0.0 112.334 -175.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -63.73 -16.5 61.28 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.017 1.327 . . . . 0.0 113.18 170.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.9 pt -142.95 -0.79 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.833 1.253 . . . . 0.0 111.786 -159.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -113.45 -169.61 1.53 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.672 2.789 . . . . 0.0 108.028 174.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 80' ' ' ILE . 27.7 tttt -140.6 137.22 33.49 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.843 -1.075 . . . . 0.0 108.399 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -133.81 136.21 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 124.332 1.02 . . . . 0.0 109.116 -169.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -134.89 -169.75 2.42 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.092 0.957 . . . . 0.0 111.46 170.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.71 -44.99 3.73 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 125.968 1.707 . . . . 0.0 109.963 -171.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -117.63 149.64 40.36 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.4 m -55.0 -27.63 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.126 0.97 . . . . 0.0 111.042 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.85 -35.98 82.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -12.37 58.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.631 1.572 . . . . 0.0 112.84 -177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 C-N-CA 125.474 1.51 . . . . 0.0 109.375 176.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mttp . . . . . 0 N--CA 1.469 0.516 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.865 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.7 157.14 24.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.911 2.084 . . . . 0.0 108.372 -178.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -107.98 -51.38 2.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.675 0.75 . . . . 0.0 112.238 -168.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.6 mt 67.98 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 129.366 3.067 . . . . 0.0 113.032 168.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -142.42 101.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 127.768 2.427 . . . . 0.0 107.844 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -71.4 106.79 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 120.228 -1.545 . . . . 0.0 106.952 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -79.25 -158.66 0.16 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -65.59 -47.82 74.43 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.02 -1.05 . . . . 0.0 109.81 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -135.9 -9.11 2.09 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.038 2.135 . . . . 0.0 111.334 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.28 127.67 48.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.648 1.979 . . . . 0.0 108.379 -167.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -85.7 107.05 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.68 109.17 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.58 97.55 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 167.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -74.78 133.72 41.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 166.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.8 t -107.87 145.4 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -123.01 141.22 52.2 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.454 1.502 . . . . 0.0 107.222 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.62 146.69 21.09 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-O 123.47 1.594 . . . . 0.0 111.925 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.04 143.95 37.03 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.964 2.105 . . . . 0.0 106.977 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -110.05 125.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.889 0.852 . . . . 0.0 111.943 -153.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -161.13 -171.02 2.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.129 1.372 . . . . 0.0 110.394 -163.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.11 60.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.865 2.066 . . . . 0.0 114.813 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.18 -17.59 56.62 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.682 1.583 . . . . 0.0 110.432 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -109.56 -11.64 14.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.851 1.26 . . . . 0.0 110.614 -178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -66.85 -6.18 15.33 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.91 1.684 . . . . 0.0 112.993 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -120.09 -31.08 4.52 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.688 162.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.26 -69.88 0.26 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.409 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.99 -41.55 47.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.352 0.978 . . . . 0.0 110.772 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' HD11 ' A' ' 68' ' ' ILE . 35.3 ttpt -52.34 -57.27 10.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.931 0.492 . . . . 0.0 110.112 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.13 -49.29 72.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.724 1.209 . . . . 0.0 109.888 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' HD11 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -65.36 -7.34 13.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.658 1.583 . . . . 0.0 112.389 -175.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.5 mt -104.69 -53.16 2.74 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-O 116.477 -1.725 . . . . 0.0 109.39 169.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 -62.39 -34.93 77.69 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 123.092 2.678 . . . . 0.0 111.199 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -79.16 -19.67 50.41 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.943 1.297 . . . . 0.0 110.901 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -84.94 -62.28 1.58 Allowed 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 116.036 -1.935 . . . . 0.0 109.121 173.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -43.46 -37.11 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.362 1.465 . . . . 0.0 112.842 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -57.07 -32.09 65.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.168 0.587 . . . . 0.0 111.638 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.68 -42.93 7.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.47 1.908 . . . . 0.0 107.984 -174.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 m -45.13 112.79 0.48 Allowed 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 126.507 1.923 . . . . 0.0 114.747 -163.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -68.82 -7.26 32.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.98 1.712 . . . . 0.0 113.991 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 73.1 mmtt -121.19 108.55 13.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -166.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.41 -36.5 82.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.013 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -77.13 90.84 3.66 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.52 95.53 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 107' ' ' VAL . 1.4 t -80.74 144.79 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.21 151.28 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.491 1.116 . . . . 0.0 108.296 168.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -129.82 121.02 25.95 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.361 1.864 . . . . 0.0 108.463 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.29 18.02 14.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.665 1.586 . . . . 0.0 112.483 -168.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -34.43 10.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.511 1.924 . . . . 0.0 111.875 174.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -91.93 -2.48 56.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.379 1.872 . . . . 0.0 113.998 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.13 84.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.011 1.278 . . . . 0.0 107.819 -164.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -18.83 57.25 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 118.146 -0.93 . . . . 0.0 112.276 -173.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -138.4 152.13 48.11 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.032 1.333 . . . . 0.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ttt -147.54 124.12 11.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.685 1.594 . . . . 0.0 107.191 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -89.67 171.19 9.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.6 m -44.95 -18.02 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.695 2.798 . . . . 0.0 113.505 160.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 -48.43 52.97 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.734 1.214 . . . . 0.0 109.933 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.86 -47.72 89.1 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-O 122.203 0.891 . . . . 0.0 112.692 -166.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.54 -42.04 92.37 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.588 -0.948 . . . . 0.0 110.201 -174.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.12 72.87 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.229 1.395 . . . . 0.0 112.106 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.3 m -88.49 -22.15 23.8 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 125.77 1.628 . . . . 0.0 109.059 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.0 mt -87.72 -47.3 8.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.794 0.725 . . . . 0.0 110.938 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.6 -26.69 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 120.915 -1.116 . . . . 0.0 112.301 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.81 -31.66 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 121.386 -0.821 . . . . 0.0 111.15 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 32' ' ' LYS . 6.0 mm -81.48 -29.22 10.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 126.581 1.952 . . . . 0.0 110.156 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.05 -32.31 61.8 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.804 -1.185 . . . . 0.0 109.644 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -68.08 -63.27 1.09 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.017 160.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -49.26 -38.56 27.29 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.386 1.903 . . . . 0.0 114.343 -168.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.83 -57.78 11.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.504 1.122 . . . . 0.0 108.825 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -52.08 -34.05 42.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.756 1.623 . . . . 0.0 112.978 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.74 -44.3 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 120.724 1.602 . . . . 0.0 109.143 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -95.34 14.05 23.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.592 1.157 . . . . 0.0 111.761 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.34 19.16 52.17 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.754 1.645 . . . . 0.0 113.93 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.99 153.99 28.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.63 178.25 8.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.22 1.808 . . . . 0.0 110.393 176.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -159.58 131.49 6.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.457 -0.777 . . . . 0.0 110.668 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.401 HG23 ' HG2' ' A' ' 102' ' ' LYS . 85.3 mt -142.12 149.88 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.184 1.794 . . . . 0.0 107.423 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -113.78 138.65 49.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.439 1.096 . . . . 0.0 108.096 169.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 167.79 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.729 0.811 . . . . 0.0 112.541 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 50.13 38.37 16.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.43 2.292 . . . . 0.0 112.112 -169.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.592 HD12 HG23 ' A' ' 103' ' ' ILE . 14.0 mt -68.75 116.92 9.81 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.994 1.718 . . . . 0.0 109.914 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -61.89 144.08 55.47 Favored 'General case' 0 CA--C 1.493 -1.238 0 C-N-CA 124.487 1.115 . . . . 0.0 112.044 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.85 -25.93 68.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.969 -170.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 m -90.93 -7.15 52.91 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mm -104.1 -32.09 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.485 1.514 . . . . 0.0 108.689 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 m -61.48 -48.84 79.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.72 -44.21 63.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.044 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -47.53 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 108.604 -170.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.89 -51.63 66.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -41.63 73.96 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 119.151 0.887 . . . . 0.0 112.233 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 mt -63.71 -57.36 10.24 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 -170.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -71.32 -8.32 52.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.242 1.417 . . . . 0.0 113.058 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 95.2 8.54 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 130.806 3.642 . . . . 0.0 112.812 169.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.45 -33.06 70.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 120.581 -1.325 . . . . 0.0 113.021 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -18.36 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 119.455 1.025 . . . . 0.0 112.193 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -8.19 59.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.402 1.001 . . . . 0.0 113.354 171.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -134.89 8.7 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.797 1.239 . . . . 0.0 111.687 -167.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -129.0 176.38 7.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.532 2.733 . . . . 0.0 108.598 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HG2' HG23 ' A' ' 80' ' ' ILE . 47.8 tttt -114.21 140.12 48.82 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 124.054 0.941 . . . . 0.0 109.77 170.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.592 HG23 HD12 ' A' ' 84' ' ' LEU . 4.7 mp -131.89 135.07 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 O-C-N 125.291 1.619 . . . . 0.0 107.727 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 p -141.58 176.63 8.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.303 2.241 . . . . 0.0 108.942 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 -53.41 4.9 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.929 1.292 . . . . 0.0 109.975 -172.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -122.32 154.92 36.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -167.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 48' ' ' VAL . 34.4 m -67.57 -17.99 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.998 0.904 . . . . 0.0 110.102 171.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.48 -45.2 92.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.119 166.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -17.3 52.24 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.998 1.726 . . . . 0.0 112.665 -172.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.873 0.469 . . . . 0.0 111.567 -174.333 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.669 0 CA-C-O 121.93 0.872 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.92 136.84 46.08 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -54.61 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.9 mt 65.38 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 129.484 3.113 . . . . 0.0 112.645 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.03 89.54 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 126.136 1.775 . . . . 0.0 106.793 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 113.06 2.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 167.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.35 -142.36 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.58 -65.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 126.985 2.114 . . . . 0.0 108.797 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -137.3 -2.57 2.01 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.922 1.689 . . . . 0.0 111.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -100.47 133.75 44.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.314 2.646 . . . . 0.0 108.065 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -96.16 101.44 13.09 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.92 126.7 36.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 105.774 -1.935 . . . . 0.0 105.774 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.75 90.82 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 1.3 mtt85 -76.68 117.45 18.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.35 142.12 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 57.8 mt-30 -116.24 152.21 34.24 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.206 1.002 . . . . 0.0 110.023 172.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 83.98 159.64 29.41 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.821 1.676 . . . . 0.0 112.906 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.22 155.56 40.47 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.412 1.885 . . . . 0.0 107.483 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 57' ' ' MET 0.259 1.0 OUTLIER -109.65 59.73 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 123.144 1.449 . . . . 0.0 108.31 -160.855 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -174.91 2.76 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.272 1.429 . . . . 0.0 109.992 -171.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.68 -19.69 2.56 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 119.542 -1.974 . . . . 0.0 113.916 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -62.25 -37.21 84.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.943 1.297 . . . . 0.0 111.553 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -17.77 41.74 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 120.966 -1.084 . . . . 0.0 109.748 175.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -60.73 -10.52 5.51 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -171.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 p -120.64 -23.52 6.01 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.739 154.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.12 -68.63 0.35 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 121.032 1.742 . . . . 0.0 109.873 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.5 -35.75 70.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 119.623 -1.923 . . . . 0.0 111.293 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.12 -49.69 76.66 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.892 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.02 -46.09 82.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.905 1.229 . . . . 0.0 109.116 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.81 -5.55 44.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.404 1.082 . . . . 0.0 111.098 -169.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.9 mt -112.71 -46.17 3.16 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 115.961 -1.971 . . . . 0.0 110.061 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -56.59 -41.71 77.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 121.618 2.008 . . . . 0.0 109.561 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -68.59 -43.01 77.41 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.25 92.63 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.907 1.283 . . . . 0.0 110.707 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -34.11 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.666 1.121 . . . . 0.0 111.926 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -54.07 32.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.692 0.797 . . . . 0.0 110.202 170.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.6 m -60.08 -34.22 73.16 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 t -66.54 117.33 8.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.998 1.38 . . . . 0.0 110.671 -157.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -30.16 69.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.559 1.943 . . . . 0.0 110.623 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 3.2 mptt -90.44 172.69 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.088 1.755 . . . . 0.0 108.302 -174.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HE3' ' HE2' ' A' ' 77' ' ' LYS . 5.3 mmtp -118.18 -32.03 4.83 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -91.26 99.79 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.644 -1.169 . . . . 0.0 109.956 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mm -90.15 109.32 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.02 102.36 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.546 1.539 . . . . 0.0 108.795 -169.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HB2' HD23 ' A' ' 81' ' ' LEU . 2.8 mm? -89.37 112.2 23.24 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.635 1.174 . . . . 0.0 111.04 -173.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 22.8 t0 -93.13 133.32 36.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.857 2.063 . . . . 0.0 110.318 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 HG21 ' A' ' 54' ' ' VAL . 3.3 mm? -124.1 20.42 9.04 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.8 p -58.49 -27.29 64.31 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.948 -1.095 . . . . 0.0 112.627 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.1 -36.49 74.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.969 0.908 . . . . 0.0 111.614 174.332 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' GLY . 45.7 t -92.7 97.13 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.514 1.126 . . . . 0.0 108.036 -148.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -90.72 -22.81 20.92 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.436 1.495 . . . . 0.0 112.879 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -130.35 150.45 51.58 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.519 1.128 . . . . 0.0 109.182 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.523 ' HG3' HG23 ' A' ' 23' ' ' ILE . 3.8 ttt -140.11 136.3 33.42 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.344 1.458 . . . . 0.0 108.52 172.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -110.26 175.88 5.26 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.465 0.65 . . . . 0.0 109.589 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -64.9 -6.39 8.24 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.3 -22.5 26.73 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.26 1.846 . . . . 0.0 109.785 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.95 -66.59 2.71 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 124.604 2.224 . . . . 0.0 109.636 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.75 -28.19 67.16 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 119.155 -2.379 . . . . 0.0 112.363 -178.136 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.93 -7.8 85.06 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 128.683 3.039 . . . . 0.0 112.481 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -89.7 -54.09 4.22 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 127.395 2.278 . . . . 0.0 105.775 165.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.17 -44.58 94.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.828 -0.545 . . . . 0.0 111.907 -169.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.96 -20.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.2 t -69.89 -40.02 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.02 -25.72 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -55.6 -18.63 8.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.082 0.953 . . . . 0.0 112.099 171.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -99.69 -56.34 2.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 116.22 -1.847 . . . . 0.0 110.06 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.64 -45.04 6.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.219 1.827 . . . . 0.0 112.454 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.17 25.01 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.326 0.65 . . . . 0.0 109.747 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -34.04 62.51 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.228 1.811 . . . . 0.0 112.141 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.76 -41.77 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.862 1.21 . . . . 0.0 109.352 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -99.76 12.65 36.09 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.53 24.9 71.58 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.122 1.344 . . . . 0.0 113.86 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HE2' ' HE3' ' A' ' 45' ' ' LYS . 16.2 mmtt -103.67 159.11 15.89 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 119.338 1.569 . . . . 0.0 109.96 -174.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.43 -174.42 3.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.249 1.02 . . . . 0.0 110.04 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -164.82 127.8 2.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.923 0.889 . . . . 0.0 110.405 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.9 mt -142.77 152.67 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 128.109 2.564 . . . . 0.0 105.783 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 49' ' ' LEU . 62.2 mt -116.85 134.9 54.2 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 171.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.22 162.11 27.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.971 0.891 . . . . 0.0 110.984 171.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 60.19 30.34 19.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.856 1.262 . . . . 0.0 112.936 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 103' ' ' ILE . 13.5 mt -63.54 144.84 56.66 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -77.73 153.25 33.14 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.52 -33.87 71.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.376 0.608 . . . . 0.0 109.418 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -59.49 -17.48 32.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.334 1.054 . . . . 0.0 111.817 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mm -120.33 -41.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.877 2.471 . . . . 0.0 107.25 -165.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.2 m -56.76 -49.25 75.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.829 0.823 . . . . 0.0 109.163 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -54.91 -35.96 64.69 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.589 0.756 . . . . 0.0 112.429 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -47.86 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -171.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.22 -54.21 43.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -52.28 -51.96 55.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.656 0.783 . . . . 0.0 111.209 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.163 0.985 . . . . 0.0 112.101 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.37 16.45 16.82 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 0.0 112.069 175.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 m80 52.99 23.41 2.89 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 128.353 2.661 . . . . 0.0 114.082 -173.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -33.68 46.62 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.031 0.832 . . . . 0.0 111.733 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.38 84.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.267 0.939 . . . . 0.0 110.013 -173.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.69 -10.84 40.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -124.82 -0.11 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.181 1.355 . . . . 0.0 111.712 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -124.68 -179.96 4.73 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 127.117 2.167 . . . . 0.0 108.569 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -123.06 131.42 53.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 124.668 1.187 . . . . 0.0 108.663 173.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -128.01 129.41 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -133.25 173.1 11.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.009 1.724 . . . . 0.0 108.048 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -45.48 8.23 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.395 1.478 . . . . 0.0 109.331 -162.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.7 p -129.99 150.99 51.02 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.35 -41.06 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.79 -38.56 34.84 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.29 1.436 . . . . 0.0 112.668 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -70.14 -29.46 66.39 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.376 -0.828 . . . . 0.0 112.792 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.85 0 C-N-CA 123.478 0.711 . . . . 0.0 110.318 -172.019 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.8 pttt . . . . . 0 CA--C 1.516 -0.336 0 CA-C-O 122.439 1.114 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.831 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -119.12 151.63 37.95 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 128.679 2.791 . . . . 0.0 106.461 169.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -47.19 3.42 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 123.135 0.574 . . . . 0.0 111.376 -172.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt 73.03 127.38 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 129.132 2.973 . . . . 0.0 112.349 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -146.78 74.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.108 2.963 . . . . 0.0 104.587 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -61.92 104.3 0.44 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.57 -1.331 . . . . 0.0 107.706 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -79.08 -157.62 0.13 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 108.523 175.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.17 -48.56 28.44 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.864 1.211 . . . . 0.0 112.388 -170.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -118.86 -10.14 9.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.046 0.939 . . . . 0.0 112.266 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.48 114.41 18.11 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.826 1.65 . . . . 0.0 108.592 -161.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.6 98.49 10.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.7 mt -85.32 118.98 33.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 118.232 -1.387 . . . . 0.0 107.608 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.82 93.96 3.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 126.418 1.887 . . . . 0.0 106.182 170.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -73.67 130.02 39.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -98.74 140.87 17.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -117.18 142.09 47.47 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.942 1.297 . . . . 0.0 110.728 174.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.5 161.07 34.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 156.99 18.45 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 125.752 1.621 . . . . 0.0 110.414 165.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 tt -116.03 135.13 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.684 1.994 . . . . 0.0 108.57 -174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 45.8 p30 -166.83 -162.88 0.51 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.673 1.589 . . . . 0.0 112.555 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.05 -23.95 3.45 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.774 2.029 . . . . 0.0 115.394 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -82.05 -36.51 27.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.719 1.6 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.524 ' HB3' ' H ' ' A' ' 24' ' ' ASP . 6.8 t-20 -71.26 -26.05 62.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.124 1.37 . . . . 0.0 109.01 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -57.93 -14.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.395 1.478 . . . . 0.0 112.376 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -118.29 -31.01 5.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.9 158.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -59.84 -69.07 0.23 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 119.629 1.104 . . . . 0.0 110.395 -174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.95 -34.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.54 -0.725 . . . . 0.0 111.439 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -58.3 -49.82 75.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.05 -51.05 61.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.039 0.836 . . . . 0.0 109.783 177.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.36 1.03 4.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.328 1.851 . . . . 0.0 112.187 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.9 mt -117.02 -44.12 2.82 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 115.558 -2.163 . . . . 0.0 109.738 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -66.95 -40.97 87.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 122.979 2.627 . . . . 0.0 110.297 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -74.69 -34.4 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.219 0.608 . . . . 0.0 109.744 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.87 -43.76 78.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.749 173.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.518 ' HA ' HG22 ' A' ' 42' ' ' THR . 10.3 mt -54.75 -45.26 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 119.263 0.938 . . . . 0.0 111.423 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -50.47 -47.59 57.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.71 0.686 . . . . 0.0 109.739 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.9 m -76.5 -44.88 33.34 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.689 0.796 . . . . 0.0 112.637 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.2 t -59.53 133.8 56.43 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.545 1.164 . . . . 0.0 111.222 -156.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 -11.33 57.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 110.854 -171.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HE3' ' O ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -116.83 170.76 8.37 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 127.213 2.205 . . . . 0.0 109.154 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -120.34 -31.4 4.37 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.524 -1.227 . . . . 0.0 113.673 -168.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.3 92.03 5.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.394 -1.289 . . . . 0.0 108.589 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.2 mm -85.3 105.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -98.99 135.56 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.24 107.92 13.12 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 118.917 0.781 . . . . 0.0 109.935 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.53 116.16 27.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.137 1.775 . . . . 0.0 109.376 -175.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 54' ' ' VAL . 2.9 mm? -101.16 22.35 12.5 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 121.228 1.831 . . . . 0.0 113.255 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.2 p -57.97 -29.18 65.01 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.48 1.112 . . . . 0.0 112.742 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.06 -18.36 21.08 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.199 -0.938 . . . . 0.0 111.334 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.677 HG21 HD12 ' A' ' 51' ' ' LEU . 25.5 t -78.11 107.06 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -173.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.7 m -108.45 -19.79 13.33 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.077 -167.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.79 149.57 52.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 168.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -145.4 154.11 41.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.47 179.43 6.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.357 1.863 . . . . 0.0 108.336 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -61.49 -17.27 53.85 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.56 98.53 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.537 0.735 . . . . 0.0 110.491 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.91 -54.03 41.37 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 125.434 1.492 . . . . 0.0 110.949 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -42.59 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.61 -175.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.12 -10.28 33.11 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.744 1.164 . . . . 0.0 113.627 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -104.95 -36.93 7.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 126.772 2.029 . . . . 0.0 108.879 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.36 -44.78 74.46 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 119.232 0.924 . . . . 0.0 110.284 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.38 -23.87 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.95 1.25 . . . . 0.0 113.517 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.26 -43.84 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.432 0.693 . . . . 0.0 109.46 168.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 18.1 mm -71.14 -20.01 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 125.147 1.379 . . . . 0.0 111.752 -175.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.05 -56.14 25.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.39 1.45 . . . . 0.0 108.158 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.98 -60.09 3.97 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 116.528 -1.701 . . . . 0.0 109.717 168.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 36.9 m-20 -58.15 -35.19 71.18 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.931 2.15 . . . . 0.0 112.585 -167.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.98 -54.46 45.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.289 1.035 . . . . 0.0 109.768 170.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.55 -37.54 40.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.082 1.353 . . . . 0.0 112.001 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.86 -37.66 61.56 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 120.158 1.345 . . . . 0.0 109.078 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.54 18.58 21.94 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 118.642 0.655 . . . . 0.0 112.073 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 35.57 92.26 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.621 1.105 . . . . 0.0 113.275 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -109.28 157.9 18.39 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.619 1.21 . . . . 0.0 109.041 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 79' ' ' PHE . 7.9 tp10 -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.206 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.427 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 20.0 t80 -167.47 114.81 0.76 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.112 -0.992 . . . . 0.0 110.315 -170.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.6 mt -139.58 147.34 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.2 mt -107.67 148.16 29.75 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.082 1.353 . . . . 0.0 108.374 172.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.46 168.27 23.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.445 1.098 . . . . 0.0 111.09 174.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m 46.29 70.88 0.34 Allowed 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.12 1.768 . . . . 0.0 114.92 -170.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 171.43 9.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.828 0.823 . . . . 0.0 109.244 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -110.58 157.15 19.98 Favored 'General case' 0 CA--C 1.486 -1.505 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.83 -31.56 72.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.328 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . 0.46 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 1.4 m -72.33 -15.8 61.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -115.95 -40.01 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.067 1.347 . . . . 0.0 108.229 -164.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -59.43 -51.09 71.37 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 87' ' ' SER . 1.2 ptm180 -57.27 -32.59 66.76 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 116.803 -1.57 . . . . 0.0 112.136 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -46.85 83.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.31 -45.96 92.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -56.55 -53.24 59.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.796 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.79 -53.68 18.2 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.861 2.065 . . . . 0.0 109.387 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.38 7.96 10.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 59.97 28.15 17.64 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 127.697 2.399 . . . . 0.0 113.413 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.12 -37.1 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.457 1.503 . . . . 0.0 110.633 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -34.91 78.97 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.249 0.931 . . . . 0.0 109.85 -172.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -24.24 67.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 175.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 pt -115.08 -4.79 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.708 1.203 . . . . 0.0 111.197 -166.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.55 -176.73 2.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.544 2.338 . . . . 0.0 105.979 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -126.46 133.97 51.07 Favored 'General case' 0 CA--C 1.504 -0.789 0 O-C-N 121.133 -0.98 . . . . 0.0 108.429 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.56 137.94 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.32 179.84 6.08 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.431 2.292 . . . . 0.0 107.624 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -46.3 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 123.743 0.817 . . . . 0.0 109.694 -172.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.1 p -129.67 148.17 51.53 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.36 -17.32 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.566 -0.709 . . . . 0.0 111.008 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -45.48 92.41 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.144 1.778 . . . . 0.0 113.806 166.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.87 -16.14 62.68 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.404 1.457 . . . . 0.0 112.492 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 C-N-CA 124.99 1.316 . . . . 0.0 110.318 -177.13 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt . . . . . 0 N--CA 1.474 0.761 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -116.77 -177.15 3.12 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 128.342 2.657 . . . . 0.0 108.931 -171.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.64 -39.25 2.01 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.639 1.176 . . . . 0.0 111.292 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt 54.62 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 130.193 3.397 . . . . 0.0 114.281 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.29 88.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 126.706 2.002 . . . . 0.0 107.917 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.07 117.17 14.48 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.31 -139.78 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.498 1.119 . . . . 0.0 108.347 -175.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.75 -53.76 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.944 -1.097 . . . . 0.0 111.707 171.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -135.01 -2.31 2.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.859 0.754 . . . . 0.0 112.93 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -107.31 140.46 40.18 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.942 1.297 . . . . 0.0 107.763 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -102.22 105.15 15.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.457 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 10.3 mt -79.62 126.46 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.69 81.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 36.1 mtt-85 -58.83 133.76 56.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.621 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 160.26 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.641 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -131.68 149.0 52.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.976 2.11 . . . . 0.0 107.897 161.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 90.67 161.62 37.57 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 124.36 0.981 . . . . 0.0 112.245 173.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.83 154.56 40.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.557 1.143 . . . . 0.0 108.309 169.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.527 HG13 HD22 ' A' ' 27' ' ' ASN . 10.3 tt -116.32 103.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 124.755 1.222 . . . . 0.0 111.289 -173.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -150.53 -171.48 3.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.15 1.38 . . . . 0.0 111.533 -164.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.06 -25.41 1.41 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.157 2.183 . . . . 0.0 114.771 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -87.26 -32.87 19.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.343 0.974 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.527 HD22 HG13 ' A' ' 23' ' ' ILE . 63.9 t30 -80.34 -14.14 58.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.215 1.006 . . . . 0.0 109.858 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -9.27 2.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.58 -27.32 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 116.691 -1.624 . . . . 0.0 111.915 163.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -75.2 0.08 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.586 1.084 . . . . 0.0 109.649 -174.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.85 -31.63 68.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.014 -1.054 . . . . 0.0 111.985 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HB2' HG23 ' A' ' 64' ' ' THR . 33.6 ttmt -55.96 -58.01 9.68 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.428 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.76 -49.84 74.79 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.428 1.091 . . . . 0.0 109.785 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 6' ' ' LEU . 13.1 mm-40 -67.22 -6.27 17.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 110.907 -172.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 mt -106.99 -54.5 2.46 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 113.974 -2.917 . . . . 0.0 111.693 168.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -52.26 -36.68 53.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 125.947 3.976 . . . . 0.0 110.963 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -68.69 -46.23 69.59 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -70.62 -40.75 72.96 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.184 -1.389 . . . . 0.0 112.913 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.08 -32.97 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 121.621 2.009 . . . . 0.0 112.952 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 t -65.2 -55.6 17.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.485 1.039 . . . . 0.0 108.856 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.1 m -65.47 -36.55 84.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.249 1.019 . . . . 0.0 112.419 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -57.44 115.79 2.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 122.151 0.977 . . . . 0.0 110.719 -159.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -25.88 68.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.636 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 40.5 mttp -102.97 171.89 7.13 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.134 0.973 . . . . 0.0 110.319 -169.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -118.31 -30.67 5.18 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 117.012 -1.47 . . . . 0.0 113.013 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.93 134.23 48.17 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 116.003 -2.279 . . . . 0.0 108.32 164.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.48 103.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 63.1 t -103.29 112.14 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.205 1.802 . . . . 0.0 107.784 -168.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.35 106.31 13.5 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.349 0.595 . . . . 0.0 111.135 -165.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.584 ' HB3' ' HA ' ' A' ' 18' ' ' ARG 0.318 1.8 t70 -78.5 138.52 38.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 115.889 -2.005 . . . . 0.0 111.793 -176.043 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.723 HD12 HG21 ' A' ' 54' ' ' VAL . 2.0 mm? -119.6 26.18 9.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -62.26 -32.5 73.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.274 -0.892 . . . . 0.0 112.581 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.99 -8.28 58.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.118 0.872 . . . . 0.0 111.947 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.723 HG21 HD12 ' A' ' 51' ' ' LEU . 38.4 t -92.16 97.07 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -172.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 m -87.08 -15.41 38.6 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -141.77 146.33 35.83 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.85 0.86 . . . . 0.0 109.582 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.414 ' HA ' HG23 ' A' ' 23' ' ' ILE . 12.7 ttt -134.54 135.55 42.41 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 174.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -105.83 173.14 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.768 0.668 . . . . 0.0 109.408 167.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -22.75 13.81 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.595 -0.69 . . . . 0.0 112.494 167.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.97 89.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.572 1.149 . . . . 0.0 109.012 174.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' HA3' HG12 ' A' ' 23' ' ' ILE . . . -59.73 -47.66 89.86 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 124.991 1.282 . . . . 0.0 112.446 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.18 -55.71 31.16 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 -178.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.69 -12.68 28.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 126.773 2.13 . . . . 0.0 114.675 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 32' ' ' LYS . 68.6 m -102.56 -16.93 15.95 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 125.685 1.594 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.41 -51.21 4.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.749 1.22 . . . . 0.0 109.005 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.65 -30.73 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.64 1.109 . . . . 0.0 112.098 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.19 -40.87 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.155 169.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.05 -21.67 25.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 C-N-CA 125.017 1.327 . . . . 0.0 110.263 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -57.88 -41.92 83.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.807 1.64 . . . . 0.0 109.467 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -72.12 -63.45 1.14 Allowed 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.42 -44.95 8.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.761 1.625 . . . . 0.0 112.491 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.1 -63.79 1.04 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.417 1.487 . . . . 0.0 110.316 168.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -45.28 -52.31 9.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.889 1.276 . . . . 0.0 111.309 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.61 -35.12 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 128.036 2.534 . . . . 0.0 109.312 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -105.06 7.98 34.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.574 1.15 . . . . 0.0 112.058 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.1 17.91 68.46 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.632 1.587 . . . . 0.0 113.405 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -98.51 159.95 14.61 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 120.958 -1.319 . . . . 0.0 108.937 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -100.73 -177.33 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.651 1.98 . . . . 0.0 109.438 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -159.56 132.8 7.01 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.662 -1.274 . . . . 0.0 109.434 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.7 152.54 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.195 2.198 . . . . 0.0 105.414 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 51' ' ' LEU . 81.5 mt -114.18 154.15 28.36 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.62 0.768 . . . . 0.0 110.193 168.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -140.12 152.57 46.22 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 120.259 1.39 . . . . 0.0 110.2 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.64 40.8 5.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 165.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.48 169.98 14.26 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 124.523 1.129 . . . . 0.0 110.665 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -103.23 157.89 16.69 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.694 167.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.48 -28.91 68.95 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.085 0.865 . . . . 0.0 109.166 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -62.84 -20.16 64.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.274 1.03 . . . . 0.0 112.405 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.89 -41.77 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.174 1.79 . . . . 0.0 107.733 -166.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.5 m -57.83 -45.84 85.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -59.1 -44.24 91.95 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.864 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -169.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.74 -44.67 96.38 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.39 -45.9 90.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 118.901 -2.374 . . . . 0.0 112.707 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -37.16 49.41 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.4 1.88 . . . . 0.0 110.748 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.26 62.3 m -102.96 14.88 30.89 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.041 0.936 . . . . 0.0 112.655 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.42 37.33 28.73 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 127.391 2.276 . . . . 0.0 112.142 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -97.08 -36.19 10.57 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.674 1.99 . . . . 0.0 109.815 -170.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.98 88.56 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.832 ' HE2' HG23 ' A' ' 100' ' ' ILE . 1.1 ptmt -56.52 -19.01 13.51 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.832 HG23 ' HE2' ' A' ' 99' ' ' LYS . 6.5 pt -113.5 -2.23 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 126.088 1.755 . . . . 0.0 111.014 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.51 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.2 m-85 -111.2 -171.58 1.86 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.858 2.863 . . . . 0.0 105.936 173.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -132.94 144.27 50.02 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 163.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.65 125.27 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.7 p -111.44 173.84 6.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.811 1.645 . . . . 0.0 108.4 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -53.2 5.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.6 p -110.87 161.37 15.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.65 1.18 . . . . 0.0 107.909 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.04 -22.9 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 165.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -73.47 -26.96 61.15 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.6 -1.26 55.71 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.186 0.903 . . . . 0.0 111.095 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.439 2.296 . . . . 0.0 110.347 177.612 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' C ' HD23 ' A' ' 6' ' ' LEU . 32.0 tttt . . . . . 0 N--CA 1.445 -0.699 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -133.21 151.7 51.94 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 127.205 2.202 . . . . 0.0 107.376 166.021 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -41.84 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.43 1.092 . . . . 0.0 110.161 -160.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.424 HG12 HG13 ' A' ' 17' ' ' VAL . 43.8 mt 61.64 115.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 129.378 3.071 . . . . 0.0 114.128 166.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.65 95.33 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 126.386 1.874 . . . . 0.0 108.538 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.63 121.09 15.14 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 120.58 -1.325 . . . . 0.0 107.803 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.58 ' CD ' ' H ' ' A' ' 12' ' ' ASP . 6.7 tm0? -84.72 -145.32 0.09 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.379 1.471 . . . . 0.0 107.785 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.58 ' H ' ' CD ' ' A' ' 11' ' ' GLN . 10.0 t70 -59.72 -60.21 4.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.249 1.42 . . . . 0.0 108.68 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 22.5 t0 -144.04 1.79 1.14 Allowed 'General case' 0 CA--C 1.54 0.564 0 O-C-N 125.053 1.471 . . . . 0.0 111.657 -173.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -121.39 143.62 49.11 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.755 2.022 . . . . 0.0 107.591 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.85 109.03 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 118.289 -0.862 . . . . 0.0 108.827 -175.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.435 HG22 ' HD2' ' A' ' 18' ' ' ARG . 50.2 mt -83.68 87.16 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.535 ' HB ' HD13 ' A' ' 49' ' ' LEU . 46.8 t -81.52 85.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 169.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.11 127.4 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.249 -1.759 . . . . 0.0 106.249 167.299 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.7 t -101.16 143.32 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 120.607 1.549 . . . . 0.0 106.879 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -112.74 164.81 12.91 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.424 0.69 . . . . 0.0 109.14 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 74.49 136.17 0.4 Allowed Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.509 2.004 . . . . 0.0 115.135 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -42.4 117.07 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 111.531 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 57' ' ' MET . 5.5 tt -82.23 127.32 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 127.612 2.365 . . . . 0.0 108.909 -171.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -168.76 177.07 5.25 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 120.433 -1.417 . . . . 0.0 110.17 -154.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -22.1 8.8 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.927 0.785 . . . . 0.0 112.165 168.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.44 -45.7 82.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 125.212 1.405 . . . . 0.0 112.333 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.4 HD21 HG13 ' A' ' 23' ' ' ILE . 2.6 p-10 -97.98 -5.36 34.33 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 t -50.88 -26.58 6.01 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.799 1.64 . . . . 0.0 112.056 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -121.8 -7.79 8.99 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.237 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -78.99 -75.59 0.23 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 117.7 -1.143 . . . . 0.0 109.928 166.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -42.57 -45.17 4.47 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.901 1.682 . . . . 0.0 112.684 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 64' ' ' THR . 30.5 ttpt -55.84 -47.28 77.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.315 176.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.32 -43.58 70.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.631 0.65 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -63.31 -10.38 16.0 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.948 1.699 . . . . 0.0 112.175 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -117.21 -39.04 3.25 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 114.27 -2.776 . . . . 0.0 110.998 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -61.69 -41.94 98.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 123.757 2.981 . . . . 0.0 110.678 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -73.69 -39.46 64.37 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -71.44 -36.15 71.16 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -57.82 -31.37 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 120.519 1.508 . . . . 0.0 112.314 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -49.44 62.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.145 171.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -56.13 -48.03 77.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.531 1.059 . . . . 0.0 112.279 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.7 t -67.58 127.02 31.18 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 123.519 1.628 . . . . 0.0 109.399 -147.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -76.55 -28.21 56.2 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.45 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG3' ' HA ' ' A' ' 13' ' ' ASP . 3.5 mptt -97.88 148.48 23.38 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.311 1.444 . . . . 0.0 109.647 -175.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -94.5 -43.81 8.17 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.907 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 133.31 55.98 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 116.703 -1.617 . . . . 0.0 107.609 168.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 mm -124.21 105.05 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.26 129.83 51.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.086 1.754 . . . . 0.0 107.485 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.5 mm? -118.51 103.08 9.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.339 0.656 . . . . 0.0 109.886 -170.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.449 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 10.2 t0 -77.07 131.89 38.62 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.966 -1.492 . . . . 0.0 108.261 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.476 HD23 HD21 ' A' ' 84' ' ' LEU . 2.5 mm? -112.38 14.22 20.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 121.405 1.911 . . . . 0.0 115.324 175.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 p -55.48 -29.46 58.8 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 120.684 -1.26 . . . . 0.0 112.844 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -93.13 9.6 35.25 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.331 1.052 . . . . 0.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 15.1 t -113.16 156.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.21 -28.97 0.19 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 119.607 1.094 . . . . 0.0 112.805 176.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -107.14 154.61 20.92 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.442 1.497 . . . . 0.0 108.481 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.421 ' HA ' HG23 ' A' ' 23' ' ' ILE . 10.8 ttt -147.75 121.66 9.37 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.423 1.077 . . . . 0.0 108.96 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -79.46 167.68 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.107 0.879 . . . . 0.0 110.124 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -46.76 -29.46 1.94 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.18 2.192 . . . . 0.0 111.713 161.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.16 76.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.942 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.94 -58.42 9.47 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 126.043 1.783 . . . . 0.0 111.883 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -68.57 -44.82 73.62 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.566 0.746 . . . . 0.0 109.204 -172.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.42 60.63 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.53 1.062 . . . . 0.0 112.721 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 32' ' ' LYS . 17.7 m -90.32 -34.5 15.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 108.339 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.27 -37.27 21.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 118.813 0.733 . . . . 0.0 112.512 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.22 -20.55 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 120.423 -1.423 . . . . 0.0 111.856 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -40.45 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.801 0.84 . . . . 0.0 110.643 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.67 -27.8 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.243 1.417 . . . . 0.0 110.341 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -36.79 38.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.249 1.019 . . . . 0.0 110.001 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -82.14 -59.04 2.7 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 115.398 -2.239 . . . . 0.0 110.997 167.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.15 -49.02 4.89 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 122.281 2.309 . . . . 0.0 112.252 -172.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.91 16.11 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.424 1.49 . . . . 0.0 108.533 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -51.88 -37.55 52.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.373 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.5 mt -58.58 -46.12 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.611 1.551 . . . . 0.0 109.585 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -87.21 14.03 8.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.684 1.129 . . . . 0.0 111.665 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.62 46.57 93.99 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.765 -1.019 . . . . 0.0 110.788 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -116.47 149.72 39.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.962 1.305 . . . . 0.0 109.52 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.44 177.74 8.59 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.071 2.549 . . . . 0.0 110.241 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -160.76 122.66 3.09 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.354 1.062 . . . . 0.0 109.184 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.13 154.04 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 127.75 2.42 . . . . 0.0 107.195 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.7 mt -112.42 157.14 21.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.8 p -141.75 149.57 40.62 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.675 2.39 . . . . 0.0 109.989 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 m 66.74 60.66 0.55 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 170.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.476 HD21 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -103.2 170.19 8.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.48 -178.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 19.8 mtmm -141.83 153.78 44.73 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -159.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.92 -28.58 69.03 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.01 0.819 . . . . 0.0 109.919 -170.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 m -81.99 0.68 39.04 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.196 0.999 . . . . 0.0 113.143 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -126.54 -40.39 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.133 1.373 . . . . 0.0 109.923 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.1 p -56.77 -46.38 81.5 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -56.56 -47.43 79.49 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.275 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mt -58.24 -48.61 84.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 120.866 1.666 . . . . 0.0 107.192 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.7 -43.39 93.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.55 -56.97 14.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.282 -1.511 . . . . 0.0 111.76 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.3 mt -45.04 -38.43 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 130.109 3.364 . . . . 0.0 111.666 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 m -97.5 8.31 44.86 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 59.52 24.25 12.96 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 127.755 2.422 . . . . 0.0 113.305 -174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -82.24 -36.88 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.513 1.925 . . . . 0.0 111.009 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.62 -35.29 80.03 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.362 -0.836 . . . . 0.0 110.298 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -69.76 -6.84 34.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 175.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 pt -127.75 6.76 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.554 1.542 . . . . 0.0 111.025 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.26 -171.73 2.4 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 128.563 2.745 . . . . 0.0 106.804 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.67 139.39 49.06 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 121.556 -0.715 . . . . 0.0 109.306 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.3 mt -134.71 127.49 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -171.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.6 p -117.8 -174.4 2.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.35 2.26 . . . . 0.0 111.567 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -106.19 -59.37 1.79 Allowed 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.831 2.052 . . . . 0.0 106.049 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.2 p -102.21 151.51 22.13 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 t -59.03 -34.92 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 124.846 1.259 . . . . 0.0 108.505 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.345 0.658 . . . . 0.0 111.785 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.22 -0.44 22.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 112.471 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.828 0 C-N-CA 125.211 1.404 . . . . 0.0 109.581 -178.89 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.5 mtp . . . . . 0 N--CA 1.469 0.52 0 CA-C-O 117.418 -1.277 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -138.43 112.69 8.67 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 120.371 1.442 . . . . 0.0 108.977 -167.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -158.97 86.18 0.83 Allowed 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 164.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.563 HD22 ' O ' ' A' ' 20' ' ' GLN . 3.4 tm? 55.35 130.78 0.0 OUTLIER 'General case' 0 N--CA 1.438 -1.048 1 C-N-CA 132.662 4.385 . . . . 0.0 116.48 173.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.441 ' N ' HD13 ' A' ' 4' ' ' LEU . 15.2 ttpp -164.45 171.36 14.76 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 113.673 -1.603 . . . . 0.0 109.708 -174.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.739 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -122.68 159.15 28.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 C-N-CA 127.869 2.467 . . . . 0.0 109.039 169.617 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -109.42 -38.8 5.38 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 120.997 -1.065 . . . . 0.0 112.042 -175.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 mt 56.54 112.75 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 128.966 2.907 . . . . 0.0 114.753 169.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 45.8 t -141.43 105.65 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.117 0 C-N-CA 125.894 1.677 . . . . 0.0 109.237 -167.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -70.58 115.56 9.88 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 177.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -87.07 -153.64 0.22 Allowed 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 175.662 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -69.1 -54.05 17.01 Favored 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 124.102 0.961 . . . . 0.0 110.876 -173.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -138.79 6.58 2.46 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 122.894 1.331 . . . . 0.0 112.095 173.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -120.47 139.48 52.81 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 126.533 1.933 . . . . 0.0 107.181 -177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -108.17 107.42 18.05 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 -175.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.6 mt -86.07 94.77 4.32 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 CA-C-O 122.063 0.935 . . . . 0.0 109.345 -172.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.0 t -82.34 86.15 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.509 -0.61 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 171.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 15.8 mtm180 -68.45 139.93 55.74 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 117.907 -1.517 . . . . 0.0 107.623 169.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.3 t -108.12 154.3 9.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.563 ' O ' HD22 ' A' ' 4' ' ' LEU . 2.8 mt-30 -132.75 135.96 46.05 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.964 1.706 . . . . 0.0 109.202 173.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 95.05 156.95 32.26 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -64.74 162.24 16.35 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 124.684 1.193 . . . . 0.0 110.513 161.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.42 HG22 ' CG1' ' A' ' 54' ' ' VAL . 3.7 tt -118.48 105.87 18.55 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 C-N-CA 124.646 1.178 . . . . 0.0 110.722 -159.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.0 p-10 -142.63 -160.43 1.1 Allowed 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.352 1.061 . . . . 0.0 113.637 -169.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 28' ' ' SER . . . -49.18 -32.16 9.77 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 127.509 2.324 . . . . 0.0 114.449 176.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -67.34 -45.92 74.96 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 119.979 1.263 . . . . 0.0 109.559 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.95 -28.75 69.73 Favored 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 123.805 0.842 . . . . 0.0 109.384 178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 0.4 OUTLIER -60.49 -15.67 29.34 Favored 'General case' 0 N--CA 1.442 -0.862 0 O-C-N 125.098 1.499 . . . . 0.0 112.284 -172.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -121.66 -28.35 4.56 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 117.142 -1.409 . . . . 0.0 113.974 154.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.7 -71.55 0.1 Allowed 'General case' 0 C--N 1.345 0.408 0 CA-C-N 120.416 1.462 . . . . 0.0 110.794 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.23 -35.77 67.74 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 119.401 1.001 . . . . 0.0 110.913 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 ttpt -56.16 -46.87 79.14 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -65.18 -54.04 35.69 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 125.516 1.526 . . . . 0.0 111.089 173.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.578 ' CD ' HD21 ' A' ' 6' ' ' LEU . 12.7 mm-40 -65.59 0.2 1.73 Allowed 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 126.822 2.049 . . . . 0.0 112.49 -175.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 46.9 mt -120.32 -52.25 2.17 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-O 116.285 -1.817 . . . . 0.0 109.957 174.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 40.8 ptt85 -56.98 -35.13 68.82 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 122.428 2.376 . . . . 0.0 110.514 -178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -77.74 -43.88 29.51 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 175.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -65.53 -44.1 87.94 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 118.7 -0.667 . . . . 0.0 110.886 -176.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.7 mt -54.71 -25.01 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.29 0 CA-C-N 120.276 1.398 . . . . 0.0 113.635 171.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.63 -56.29 6.12 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 171.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 16.8 m -55.97 -42.63 76.59 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 126.856 2.062 . . . . 0.0 112.51 178.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.479 HG21 HD11 ' A' ' 47' ' ' ILE . 14.9 t -59.03 125.44 23.63 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.426 1.108 . . . . 0.0 111.084 -155.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -70.72 -31.89 68.89 Favored 'General case' 0 N--CA 1.445 -0.679 0 C-N-CA 124.686 1.195 . . . . 0.0 108.612 170.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.502 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 1.5 mptp? -99.77 133.22 44.45 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-N 118.955 0.798 . . . . 0.0 110.552 -175.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.6 mtpt -77.21 -36.0 55.17 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 118.067 -0.968 . . . . 0.0 113.433 -175.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -81.04 89.7 5.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 119.924 1.238 . . . . 0.0 110.076 -169.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.479 HD11 HG21 ' A' ' 42' ' ' THR . 18.1 mm -80.01 96.3 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 -171.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 15.8 t -86.08 136.58 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 176.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -106.82 143.77 34.43 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 171.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.572 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 19.1 t70 -118.14 119.37 34.52 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.103 1.361 . . . . 0.0 110.704 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -113.5 21.59 14.98 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 123.386 0.674 . . . . 0.0 111.394 -173.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.0 t -58.31 -29.48 65.91 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.811 1.244 . . . . 0.0 111.628 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.9 m -99.07 3.55 46.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.29 1.436 . . . . 0.0 112.164 -178.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 23' ' ' ILE . 40.7 t -91.97 89.71 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 -174.412 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 m -75.11 -24.95 58.16 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 114.109 1.151 . . . . 0.0 114.109 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -142.08 155.8 45.38 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.075 1.75 . . . . 0.0 107.783 -177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 7.3 ttt -140.73 132.46 27.33 Favored 'General case' 0 CA--C 1.52 -0.195 0 C-N-CA 125.784 1.634 . . . . 0.0 109.5 173.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -96.54 166.38 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.987 1.715 . . . . 0.0 108.836 169.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.41 -26.72 8.44 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.275 1.03 . . . . 0.0 112.265 165.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.33 -52.12 48.28 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 125.733 1.613 . . . . 0.0 109.683 175.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -42.42 -64.62 1.52 Allowed Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 126.193 1.854 . . . . 0.0 111.474 175.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -38.36 77.99 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 117.858 -1.068 . . . . 0.0 110.984 -159.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.26 -29.87 75.69 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.154 0.909 . . . . 0.0 111.862 174.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 m -81.56 -23.61 37.07 Favored 'General case' 0 CA--C 1.516 -0.335 0 C-N-CA 124.174 0.99 . . . . 0.0 109.073 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.58 -46.37 9.61 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 119.63 1.105 . . . . 0.0 110.533 176.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.37 -30.05 47.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-N 119.326 0.967 . . . . 0.0 113.259 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.5 p -64.55 -30.88 51.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 O-C-N 120.638 -1.289 . . . . 0.0 111.165 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 12.4 mm -70.43 -18.03 21.06 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.504 0 C-N-CA 123.66 0.784 . . . . 0.0 110.049 177.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.2 tp -61.14 -39.67 90.94 Favored 'General case' 0 C--N 1.342 0.261 0 O-C-N 120.341 -1.474 . . . . 0.0 109.964 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -69.57 -55.54 9.84 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 115.994 -1.955 . . . . 0.0 109.293 168.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.435 ' HA ' HD12 ' A' ' 74' ' ' ILE . 89.4 m-20 -50.76 -40.8 55.83 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 122.126 2.239 . . . . 0.0 112.925 -173.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.51 -54.49 46.44 Favored 'General case' 0 N--CA 1.451 -0.381 0 O-C-N 120.782 -1.199 . . . . 0.0 109.361 173.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.56 -16.9 52.12 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.607 1.963 . . . . 0.0 113.471 174.527 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.435 HD12 ' HA ' ' A' ' 71' ' ' ASP . 75.1 mt -71.1 -29.1 35.22 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-N 120.953 1.706 . . . . 0.0 109.031 170.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.7 t30 -113.45 12.11 18.61 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 123.833 0.853 . . . . 0.0 112.99 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 56.46 51.28 57.38 Favored Glycine 0 CA--C 1.528 0.857 0 C-N-CA 125.314 1.435 . . . . 0.0 111.514 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -107.19 154.75 20.75 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.836 0.855 . . . . 0.0 109.575 175.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.41 173.76 8.94 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.874 1.27 . . . . 0.0 108.35 174.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.6 t80 -155.47 124.63 6.22 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.634 -0.667 . . . . 0.0 111.649 177.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 44.3 mt -137.78 150.52 25.33 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 126.189 1.796 . . . . 0.0 107.159 -177.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 75.3 mt -113.02 142.37 45.79 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.56 1.544 . . . . 0.0 107.687 170.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.82 164.11 31.08 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.096 0.474 . . . . 0.0 111.615 177.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.9 t 60.94 27.07 16.95 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.145 1.378 . . . . 0.0 113.41 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 103' ' ' ILE . 25.4 mt -62.91 129.66 41.37 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 120.751 -1.218 . . . . 0.0 110.625 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.4 mttm -66.35 151.54 46.9 Favored 'General case' 0 CA--C 1.492 -1.283 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.285 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -66.74 -28.38 68.37 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.506 -1.225 . . . . 0.0 109.703 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 t -70.05 -8.86 52.76 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.163 1.385 . . . . 0.0 113.141 175.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.2 mm -120.97 -38.44 1.57 Allowed 'Isoleucine or valine' 0 C--O 1.231 0.096 0 C-N-CA 126.156 1.783 . . . . 0.0 108.63 -170.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 48.4 m -54.87 -52.91 61.34 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-O 121.9 0.857 . . . . 0.0 108.857 175.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.27 -37.95 65.3 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.78 173.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -64.18 -51.55 67.25 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 N-CA-C 106.258 -1.756 . . . . 0.0 106.258 -174.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.5 mt -56.57 -50.59 71.46 Favored 'General case' 0 C--O 1.221 -0.406 0 N-CA-C 107.962 -1.125 . . . . 0.0 107.962 178.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -56.76 -50.91 70.84 Favored 'General case' 0 C--N 1.332 -0.18 0 O-C-N 120.953 -1.092 . . . . 0.0 111.834 179.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.7 mt -54.05 -53.7 49.46 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.727 1.611 . . . . 0.0 109.937 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.4 m -80.51 18.85 0.86 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.425 1.09 . . . . 0.0 112.118 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 55.37 19.34 3.01 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 127.856 2.462 . . . . 0.0 115.297 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 1.0 OUTLIER -76.83 -38.47 53.75 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 126.982 2.113 . . . . 0.0 110.858 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.48 -46.85 88.58 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 123.126 0.57 . . . . 0.0 109.703 -175.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.427 ' HE3' HG23 ' A' ' 100' ' ' ILE . 0.9 OUTLIER -57.58 -13.4 3.77 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 176.587 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.427 HG23 ' HE3' ' A' ' 99' ' ' LYS . 10.1 pt -125.57 9.75 4.21 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 126.253 1.821 . . . . 0.0 111.398 -174.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.451 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.1 m-85 -120.98 -158.09 0.74 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 127.008 2.123 . . . . 0.0 108.293 178.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -141.07 133.18 27.88 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 124.935 1.294 . . . . 0.0 108.268 169.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.464 HG23 HD12 ' A' ' 84' ' ' LEU . 4.0 mp -127.75 133.4 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 O-C-N 124.816 1.322 . . . . 0.0 109.257 -176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.7 p -133.28 -176.44 4.14 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 126.193 1.797 . . . . 0.0 111.195 164.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.13 -34.93 6.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 124.936 1.294 . . . . 0.0 111.392 -161.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 49.8 p -128.85 153.27 47.62 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.144 1.778 . . . . 0.0 106.55 173.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.6 m -63.16 -22.7 31.38 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 120.489 -1.382 . . . . 0.0 110.692 173.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -66.82 -32.11 73.17 Favored 'General case' 0 N--CA 1.449 -0.52 0 O-C-N 121.234 -0.916 . . . . 0.0 112.717 174.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.79 -2.57 56.62 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 119.541 1.064 . . . . 0.0 112.457 177.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.06 0 C-N-CA 125.905 1.682 . . . . 0.0 109.366 172.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 71.0 mtm . . . . . 0 N--CA 1.469 0.51 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -121.5 170.01 10.09 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.278 1.031 . . . . 0.0 108.742 173.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -126.52 40.24 3.77 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 126.151 1.78 . . . . 0.0 109.429 175.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' ' 27' ' ' ASN . 15.2 tp -63.36 115.88 5.0 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 125.996 1.718 . . . . 0.0 110.858 -171.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.2 mttt 164.57 -179.17 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 129.443 3.097 . . . . 0.0 108.151 -176.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.506 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -125.15 165.03 18.98 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 125.875 1.67 . . . . 0.0 108.263 173.307 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -119.59 -39.28 2.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.15 1.38 . . . . 0.0 109.943 -151.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 32.5 mt 64.35 127.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 C-N-CA 130.38 3.472 . . . . 0.0 114.371 167.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.5 t -143.96 83.18 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 127.586 2.355 . . . . 0.0 106.979 -174.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -66.89 110.27 3.25 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 120.33 -1.481 . . . . 0.0 108.528 175.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -148.64 0.05 Allowed 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 175.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -80.9 -52.68 7.19 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.28 -1.513 . . . . 0.0 110.986 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -127.75 -5.12 5.78 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.974 1.31 . . . . 0.0 112.738 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -113.32 124.57 52.78 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 126.255 1.822 . . . . 0.0 107.315 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.665 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -89.6 99.08 12.15 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 105.688 -1.968 . . . . 0.0 105.688 178.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 mt -77.95 125.67 37.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.185 0 N-CA-C 105.168 -2.16 . . . . 0.0 105.168 177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.49 HG11 HD22 ' A' ' 6' ' ' LEU . 84.6 t -111.11 93.63 2.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 N-CA-C 106.224 -1.769 . . . . 0.0 106.224 168.473 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -55.79 120.02 6.69 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 162.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.6 t -81.95 161.29 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 170.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -135.79 145.22 46.29 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.378 1.471 . . . . 0.0 109.591 163.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.52 153.35 29.11 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 125.202 1.382 . . . . 0.0 110.32 170.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -57.66 165.44 1.65 Allowed 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 122.06 0.933 . . . . 0.0 110.071 156.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 tt -130.67 134.13 62.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 C-N-CA 124.168 0.987 . . . . 0.0 108.658 -167.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 56.8 p30 -160.39 -173.75 4.16 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -167.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.1 -19.46 61.49 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 125.396 1.478 . . . . 0.0 113.708 174.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -87.35 -14.98 39.26 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 119.973 1.261 . . . . 0.0 109.774 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.499 ' HB2' HD21 ' A' ' 4' ' ' LEU . 17.2 t-20 -112.14 -14.0 13.46 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.68 1.592 . . . . 0.0 111.189 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.5 p -64.43 -4.96 4.42 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 p -116.18 -24.44 8.0 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.403 1.001 . . . . 0.0 111.133 160.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.63 -71.93 0.16 Allowed 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.793 -1.099 . . . . 0.0 110.085 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.4 tp -51.5 -41.4 60.94 Favored 'General case' 0 C--N 1.344 0.362 0 CA-C-N 120.009 1.277 . . . . 0.0 110.702 178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HA ' HD11 ' A' ' 68' ' ' ILE . 28.9 ttpt -54.82 -50.01 69.63 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 117.849 -1.072 . . . . 0.0 109.984 177.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -59.68 -49.23 78.56 Favored 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 124.555 1.142 . . . . 0.0 112.174 171.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.506 ' HB3' HD11 ' A' ' 6' ' ' LEU . 3.7 mm-40 -58.31 -16.0 12.55 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.781 1.632 . . . . 0.0 110.907 -175.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 97.0 mt -114.95 -45.26 2.98 Favored 'General case' 0 C--O 1.207 -1.147 0 CA-C-O 114.428 -2.701 . . . . 0.0 112.235 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -41.68 64.31 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 123.974 3.079 . . . . 0.0 110.402 171.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -75.11 -34.9 61.75 Favored 'General case' 0 N--CA 1.442 -0.847 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 -171.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -73.8 -43.64 58.25 Favored 'General case' 0 N--CA 1.437 -1.089 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.318 173.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.465 ' HA ' HG22 ' A' ' 42' ' ' THR . 7.1 mt -53.07 -40.02 35.71 Favored 'Isoleucine or valine' 0 C--O 1.239 0.504 0 CA-C-N 120.016 1.28 . . . . 0.0 111.464 175.404 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.4 t -53.42 -55.78 22.28 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.52 1.528 . . . . 0.0 109.244 173.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.5 m -57.81 -54.62 44.87 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.326 1.451 . . . . 0.0 112.25 175.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.465 HG22 ' HA ' ' A' ' 39' ' ' ILE 0.251 9.9 t -64.85 136.89 57.38 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 122.952 1.358 . . . . 0.0 113.618 -136.03 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 m -78.99 -1.4 35.27 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.904 1.682 . . . . 0.0 113.003 178.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.665 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 1.1 mptp? -119.47 161.37 20.68 Favored 'General case' 0 CA--C 1.509 -0.606 0 O-C-N 120.873 -1.142 . . . . 0.0 109.353 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.78 -49.83 3.7 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 114.389 -1.278 . . . . 0.0 110.995 -177.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.414 ' HE3' ' CD1' ' A' ' 80' ' ' ILE . 4.6 tttp -74.0 94.07 2.31 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 117.604 -1.188 . . . . 0.0 110.598 -172.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 6.6 mm -83.78 110.38 18.44 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 5.6 t -108.38 116.42 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.386 0 C-N-CA 126.01 1.724 . . . . 0.0 109.74 -173.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.85 109.31 14.51 Favored 'General case' 0 C--O 1.217 -0.642 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 -164.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -91.14 118.69 30.64 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 127.424 2.289 . . . . 0.0 110.143 -168.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.716 HD21 HD22 ' A' ' 81' ' ' LEU . 1.1 mm? -107.5 23.73 14.0 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 120.728 1.604 . . . . 0.0 113.3 -170.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 45.0 p -58.1 -26.01 62.05 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.9 m -86.26 -7.09 58.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.854 1.262 . . . . 0.0 112.045 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 18.6 t -93.11 79.4 1.37 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -164.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 m -72.69 -18.49 61.54 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 125.751 1.62 . . . . 0.0 113.509 -173.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -145.38 156.6 43.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 125.536 1.535 . . . . 0.0 107.426 174.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 5.5 ttt -143.85 139.61 29.36 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -101.38 171.81 7.36 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 125.144 1.378 . . . . 0.0 108.904 173.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.3 m -55.88 -16.55 4.79 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.019 0.928 . . . . 0.0 113.334 168.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.78 39.34 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 123.895 0.878 . . . . 0.0 111.835 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.62 -49.7 23.22 Favored Glycine 0 C--O 1.224 -0.49 0 N-CA-C 110.23 -1.148 . . . . 0.0 110.23 -169.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -61.18 -45.87 92.83 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 125.456 1.502 . . . . 0.0 109.958 176.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.44 -7.7 47.62 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.673 1.606 . . . . 0.0 114.021 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 54.2 m -100.41 -47.05 5.04 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 127.568 2.347 . . . . 0.0 107.283 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.3 mt -57.58 -46.44 83.98 Favored 'General case' 0 C--N 1.338 0.089 0 CA-C-N 120.262 1.392 . . . . 0.0 110.195 179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -62.71 -25.88 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.726 0 N-CA-C 113.01 0.744 . . . . 0.0 113.01 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.6 -47.49 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 C-N-CA 124.2 1.0 . . . . 0.0 108.764 167.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.477 HD11 ' HA ' ' A' ' 32' ' ' LYS . 35.9 mm -67.54 -35.63 73.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.159 -169.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.65 -39.97 68.56 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 120.071 1.305 . . . . 0.0 110.558 178.165 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -63.15 -64.84 0.79 Allowed 'General case' 0 C--O 1.211 -0.929 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 175.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -40.76 -46.32 2.64 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 126.859 2.064 . . . . 0.0 112.955 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.12 -63.63 1.12 Allowed 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 126.455 1.902 . . . . 0.0 108.478 173.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.78 -43.54 65.93 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 124.584 1.154 . . . . 0.0 112.28 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 92.2 mt -55.05 -27.99 20.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 126.176 1.791 . . . . 0.0 109.833 177.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -113.44 19.61 16.78 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 75.33 30.46 58.6 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.628 1.109 . . . . 0.0 113.364 174.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.45 ' HE2' ' O ' ' A' ' 42' ' ' THR . 0.9 OUTLIER -115.4 172.44 7.09 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 119.119 1.459 . . . . 0.0 109.191 -172.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -128.31 170.95 12.47 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.855 2.062 . . . . 0.0 108.812 -175.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -150.43 130.59 13.57 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 119.362 0.983 . . . . 0.0 111.714 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.623 HG23 ' HG2' ' A' ' 102' ' ' LYS . 36.4 mt -144.07 145.3 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 125.684 1.594 . . . . 0.0 107.067 -178.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.716 HD22 HD21 ' A' ' 51' ' ' LEU . 95.7 mt -109.24 148.81 30.37 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 125.891 1.676 . . . . 0.0 108.827 171.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.8 p -139.72 160.83 38.99 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.82 1.248 . . . . 0.0 110.276 -174.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 54.5 33.59 19.21 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 121.014 -1.054 . . . . 0.0 113.303 171.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.474 HD12 HG23 ' A' ' 103' ' ' ILE . 6.4 mt -68.93 138.67 54.8 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 121.405 -0.81 . . . . 0.0 109.742 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -69.34 147.32 51.27 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -56.09 -39.16 71.7 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 124.115 0.884 . . . . 0.0 109.62 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 15.9 m -71.04 -17.82 62.6 Favored 'General case' 0 C--O 1.225 -0.202 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.2 mm -100.68 -35.49 4.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 51.3 m -57.93 -49.54 76.43 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 121.284 -0.885 . . . . 0.0 109.304 178.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -56.58 -36.38 69.28 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-O 117.871 -1.062 . . . . 0.0 112.483 174.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.8 mt -68.1 -51.62 46.9 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 -172.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.95 -51.62 68.46 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -53.48 -49.28 67.8 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 123.719 0.808 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.3 mt -55.44 -58.32 8.22 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 126.802 2.041 . . . . 0.0 111.492 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.8 m -73.27 3.39 5.84 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 76.1 32.34 0.62 Allowed 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 128.797 2.839 . . . . 0.0 111.436 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 mp -85.86 -41.21 15.19 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 124.872 1.269 . . . . 0.0 111.594 175.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.95 -33.38 75.23 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 120.044 1.293 . . . . 0.0 109.903 -168.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -24.82 66.65 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 171.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 pt -119.68 3.87 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 120.268 1.394 . . . . 0.0 111.562 -170.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -118.11 -166.86 1.26 Allowed 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 127.419 2.288 . . . . 0.0 106.378 176.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.623 ' HG2' HG23 ' A' ' 80' ' ' ILE . 15.3 tttt -137.53 134.49 35.74 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 125.261 1.424 . . . . 0.0 107.617 177.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.474 HG23 HD12 ' A' ' 84' ' ' LEU . 4.0 mp -132.74 130.74 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 125.411 1.484 . . . . 0.0 108.716 -170.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.468 HG21 ' HA ' ' A' ' 110' ' ' ALA . 65.5 p -131.96 176.53 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.645 1.178 . . . . 0.0 111.435 171.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -83.34 -55.37 4.36 Favored 'General case' 0 CA--C 1.513 -0.47 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 59.7 p -113.41 167.05 10.9 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 124.222 1.009 . . . . 0.0 108.333 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.12 -20.4 21.54 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.705 167.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -61.53 -56.6 18.24 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.521 1.128 . . . . 0.0 109.672 169.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.44 -9.27 52.95 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -170.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.468 ' HA ' HG21 ' A' ' 104' ' ' THR . . . . . . . . 0 C--O 1.253 1.254 0 C-N-CA 128.849 2.86 . . . . 0.0 112.283 -175.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.6 mtt . . . . . 0 N--CA 1.473 0.69 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -135.99 165.61 25.26 Favored 'General case' 0 C--O 1.233 0.202 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 161.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -151.48 100.05 2.68 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 103.013 -2.958 . . . . 0.0 103.013 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.5 tp -78.71 96.43 5.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 121.449 -0.782 . . . . 0.0 111.032 -165.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.0 -160.84 0.83 Allowed 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 123.132 1.444 . . . . 0.0 112.529 -170.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.43 144.4 51.37 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 128.928 2.891 . . . . 0.0 105.494 165.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.26 -42.67 10.26 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 125.007 1.323 . . . . 0.0 109.555 177.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt 60.06 123.3 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 129.082 2.953 . . . . 0.0 114.201 178.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.63 80.63 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.839 0 C-N-CA 127.221 2.208 . . . . 0.0 106.325 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -57.88 119.07 6.06 Favored 'General case' 0 N--CA 1.45 -0.439 0 N-CA-C 106.091 -1.818 . . . . 0.0 106.091 170.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.3 mm100 -103.87 -162.71 0.92 Allowed 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 125.939 1.696 . . . . 0.0 109.55 -176.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -59.63 -52.7 64.39 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.232 0.613 . . . . 0.0 110.506 -159.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -134.88 9.52 3.58 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.808 1.243 . . . . 0.0 110.587 172.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptmt -132.69 133.23 43.28 Favored 'General case' 0 CA--C 1.508 -0.665 0 C-N-CA 125.533 1.533 . . . . 0.0 109.041 -168.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -92.2 111.47 23.04 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.6 mt -82.68 99.03 5.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 N-CA-C 107.001 -1.481 . . . . 0.0 107.001 168.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.5 t -82.19 93.95 2.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 104.832 -2.285 . . . . 0.0 104.832 163.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 mtp85 -69.89 116.22 10.02 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 116.63 -2.028 . . . . 0.0 106.143 162.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.579 HG11 ' CG2' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -65.43 166.48 1.39 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 171.557 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.423 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 40.9 mt-30 -133.89 136.7 44.48 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 123.877 0.871 . . . . 0.0 109.621 155.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.88 142.03 12.73 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.928 1.252 . . . . 0.0 114.406 164.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -54.46 136.18 44.65 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 127.613 2.365 . . . . 0.0 110.014 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.427 HG23 ' HA ' ' A' ' 57' ' ' MET . 10.1 tt -96.19 115.82 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 121.644 0.735 . . . . 0.0 109.146 -169.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 p30 -134.46 -162.05 1.21 Allowed 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 124.36 1.064 . . . . 0.0 110.154 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.95 -32.33 73.51 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 125.306 1.442 . . . . 0.0 113.422 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -63.39 -45.43 91.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 120.141 1.337 . . . . 0.0 107.77 172.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -78.44 -16.02 58.02 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.1 t -65.49 -18.13 65.08 Favored 'General case' 0 N--CA 1.428 -1.549 0 C-N-CA 123.796 0.838 . . . . 0.0 110.79 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.5 p -116.05 -22.91 8.75 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 117.592 -1.194 . . . . 0.0 110.63 166.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.31 -67.29 0.48 Allowed 'General case' 0 C--O 1.219 -0.518 0 CA-C-O 117.55 -1.214 . . . . 0.0 111.35 178.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -47.77 -44.58 28.42 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 121.088 1.767 . . . . 0.0 110.843 177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.506 ' HB2' HG23 ' A' ' 64' ' ' THR . 20.6 ttmt -51.66 -52.18 50.02 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 124.993 1.317 . . . . 0.0 108.811 177.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.11 -55.37 33.25 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 126.252 1.821 . . . . 0.0 111.645 174.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -57.29 -27.3 62.03 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 124.689 1.196 . . . . 0.0 109.47 -171.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 80.9 mt -90.84 -47.84 7.38 Favored 'General case' 0 C--O 1.204 -1.31 0 CA-C-O 114.399 -2.715 . . . . 0.0 111.689 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.7 ptp180 -60.68 -33.31 72.65 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 124.106 3.139 . . . . 0.0 111.678 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.0 t-20 -66.16 -48.55 70.36 Favored 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -61.13 -47.32 86.76 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 114.38 -1.282 . . . . 0.0 111.213 174.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mt -57.18 -31.15 36.72 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 124.65 1.18 . . . . 0.0 111.555 -176.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.61 -57.47 11.9 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.995 1.318 . . . . 0.0 108.782 171.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -65.98 -35.3 80.22 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.083 1.753 . . . . 0.0 114.067 -178.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.9 t -63.77 124.97 22.83 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 123.475 1.607 . . . . 0.0 111.598 -152.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.9 m -81.03 3.98 21.3 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 113.99 -1.459 . . . . 0.0 112.065 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 62.5 mmtt -128.8 142.78 50.87 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 126.937 2.095 . . . . 0.0 108.63 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -89.73 -41.32 11.96 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.89 -173.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.4 mttt -57.41 128.1 35.34 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-O 116.749 -1.596 . . . . 0.0 109.444 169.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -117.47 103.19 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 170.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 18.0 t -97.89 132.34 42.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 107.666 -1.235 . . . . 0.0 107.666 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -117.07 103.65 10.45 Favored 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 124.032 0.933 . . . . 0.0 110.491 -179.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.523 ' O ' HG12 ' A' ' 19' ' ' VAL . 23.4 t0 -75.34 120.89 21.43 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 116.467 -1.73 . . . . 0.0 108.802 174.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.878 HD21 HD22 ' A' ' 81' ' ' LEU . 1.6 mm? -103.1 19.44 19.54 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 122.125 2.239 . . . . 0.0 113.176 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 t -55.24 -31.94 61.91 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.962 -0.461 . . . . 0.0 111.637 179.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 1.1 t -87.16 2.79 48.79 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.973 1.309 . . . . 0.0 112.383 -178.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.579 ' CG2' HG11 ' A' ' 19' ' ' VAL . 2.6 t -119.4 90.76 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 -168.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -87.57 -20.14 26.85 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 126.662 1.985 . . . . 0.0 114.741 -176.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -124.31 166.29 16.17 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 127.005 2.122 . . . . 0.0 107.99 176.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.427 ' HA ' HG23 ' A' ' 23' ' ' ILE . 9.9 ttt -160.85 140.11 10.51 Favored 'General case' 0 N--CA 1.449 -0.479 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 170.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -97.74 169.86 9.39 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.736 0.814 . . . . 0.0 110.401 172.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.8 m -56.57 -17.89 10.04 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.292 1.037 . . . . 0.0 112.462 167.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.05 -36.99 69.78 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.779 1.172 . . . . 0.0 109.246 177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.45 ' O ' HD23 ' A' ' 65' ' ' LEU . . . -51.66 -53.36 29.53 Favored Glycine 0 C--O 1.212 -1.276 0 C-N-CA 126.258 1.885 . . . . 0.0 110.532 -176.417 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -68.93 -35.06 76.36 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 118.285 -2.891 . . . . 0.0 110.879 -168.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.47 -26.07 69.26 Favored Glycine 0 CA--C 1.533 1.203 0 C-N-CA 124.362 0.982 . . . . 0.0 112.882 169.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.506 HG23 ' HB2' ' A' ' 32' ' ' LYS . 12.2 m -69.27 -54.76 13.02 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 125.885 1.674 . . . . 0.0 106.543 173.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 61' ' ' GLY . 1.7 mm? -63.39 -45.17 92.31 Favored 'General case' 0 N--CA 1.437 -1.09 0 C-N-CA 124.929 1.292 . . . . 0.0 109.832 -171.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.1 p -71.34 -15.92 18.85 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 O-C-N 120.957 -1.089 . . . . 0.0 113.773 -175.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -34.89 60.43 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 O-C-N 121.616 -0.678 . . . . 0.0 110.972 167.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.7 mm -65.14 -31.7 55.06 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 123.575 0.75 . . . . 0.0 109.961 -177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -10.7 53.67 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 120.48 -1.388 . . . . 0.0 112.165 174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -90.13 -72.85 0.54 Allowed 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 104.223 -2.51 . . . . 0.0 104.223 167.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -42.56 -41.31 2.97 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.863 1.665 . . . . 0.0 114.575 -174.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.74 -59.88 3.45 Favored 'General case' 0 C--O 1.225 -0.237 0 C-N-CA 126.65 1.98 . . . . 0.0 109.524 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -48.39 -45.39 35.79 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 125.648 1.579 . . . . 0.0 111.012 174.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.49 -29.88 39.73 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 C-N-CA 126.733 2.013 . . . . 0.0 110.305 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.84 12.57 32.44 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 124.985 1.314 . . . . 0.0 112.47 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.78 39.94 65.31 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 124.884 1.23 . . . . 0.0 112.358 176.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.9 mmtm -122.22 159.69 26.77 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.366 1.083 . . . . 0.0 111.855 -175.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.05 -176.21 6.16 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 127.453 2.301 . . . . 0.0 110.361 175.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -167.8 124.98 1.14 Allowed 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 125.901 1.68 . . . . 0.0 109.277 171.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 80.5 mt -142.75 148.88 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 129.097 2.959 . . . . 0.0 105.528 -175.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.878 HD22 HD21 ' A' ' 51' ' ' LEU . 51.4 mt -116.79 142.36 47.02 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.196 0.999 . . . . 0.0 108.965 172.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.3 167.76 21.18 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.018 0.527 . . . . 0.0 111.638 172.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 58.07 31.11 20.26 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.805 2.042 . . . . 0.0 112.746 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.543 ' HG ' HD23 ' A' ' 51' ' ' LEU . 12.0 mt -66.43 128.42 36.11 Favored 'General case' 0 C--O 1.238 0.482 0 O-C-N 121.15 -0.969 . . . . 0.0 110.921 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 45.4 mttt -71.67 146.61 48.14 Favored 'General case' 0 CA--C 1.493 -1.215 0 CA-C-N 115.307 -0.86 . . . . 0.0 109.702 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -68.09 -20.31 64.93 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.76 -1.109 . . . . 0.0 111.844 -171.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.36 -0.79 51.4 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.396 -0.815 . . . . 0.0 112.952 173.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 25.4 mm -117.98 -37.21 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 C-N-CA 126.437 1.895 . . . . 0.0 108.251 -177.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 m -57.07 -48.23 79.07 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 176.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 ptm85 -54.54 -37.3 65.25 Favored 'General case' 0 C--O 1.213 -0.832 0 C-N-CA 123.885 0.874 . . . . 0.0 112.59 171.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -66.78 -48.84 78.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 -171.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 15.8 mt -55.2 -51.19 67.36 Favored 'General case' 0 N--CA 1.441 -0.901 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 172.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.0 ttpt -55.89 -50.45 70.63 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.944 0.898 . . . . 0.0 111.237 -177.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.6 mt -50.82 -45.26 59.38 Favored 'General case' 0 N--CA 1.447 -0.578 0 C-N-CA 127.09 2.156 . . . . 0.0 111.116 179.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.9 m -99.1 27.58 4.99 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 125.221 1.408 . . . . 0.0 110.664 -177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 54.42 26.16 6.79 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 129.103 2.961 . . . . 0.0 115.902 176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mp -88.06 -39.26 14.76 Favored 'General case' 0 CA--C 1.512 -0.503 0 C-N-CA 124.404 1.082 . . . . 0.0 112.878 176.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -63.03 -37.36 86.89 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.502 1.046 . . . . 0.0 109.847 -174.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.554 ' HE2' HG23 ' A' ' 100' ' ' ILE . 4.8 ptmt -60.4 -7.12 1.85 Allowed 'General case' 0 CA--C 1.54 0.592 0 CA-C-O 116.539 -1.696 . . . . 0.0 114.45 172.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.554 HG23 ' HE2' ' A' ' 99' ' ' LYS . 21.5 pt -139.14 -9.34 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 121.715 2.052 . . . . 0.0 113.564 -173.249 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -98.8 -177.57 3.69 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.805 1.642 . . . . 0.0 108.409 177.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.0 tptt -115.6 118.55 33.43 Favored 'General case' 0 CA--C 1.512 -0.508 0 O-C-N 121.506 -0.746 . . . . 0.0 110.97 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.46 HG23 HD12 ' A' ' 84' ' ' LEU . 5.2 mp -126.67 129.44 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.596 0 C-N-CA 124.496 1.118 . . . . 0.0 109.598 -173.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.98 175.59 8.55 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.803 1.641 . . . . 0.0 109.704 172.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -91.31 -64.03 1.18 Allowed 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 105.399 -2.074 . . . . 0.0 105.399 -176.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.1 p -103.24 146.44 28.43 Favored 'General case' 0 N--CA 1.438 -1.044 0 N-CA-C 106.966 -1.494 . . . . 0.0 106.966 -173.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.6 t -57.81 -32.13 42.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 O-C-N 121.483 -0.761 . . . . 0.0 109.664 172.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.29 -36.28 68.46 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.084 0.954 . . . . 0.0 112.36 174.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.13 -1.27 31.75 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 -177.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 CA-C-O 117.731 -1.128 . . . . 0.0 109.649 -178.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptm . . . . . 0 N--CA 1.472 0.629 0 CA-C-O 120.719 0.295 . . . . 0.0 111.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.7 p-10 -163.78 175.33 10.6 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.557 1.943 . . . . 0.0 106.927 164.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -150.28 88.52 1.52 Allowed 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 106.025 -1.843 . . . . 0.0 106.025 155.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 tp -155.11 112.42 3.34 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 -165.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -170.94 160.07 6.45 Favored 'General case' 0 CA--C 1.519 -0.24 0 C-N-CA 125.531 1.532 . . . . 0.0 109.03 174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.873 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -97.29 152.59 18.73 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.01 -1.478 . . . . 0.0 107.01 172.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -117.32 -23.35 7.85 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 123.781 0.832 . . . . 0.0 111.931 -162.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mt 42.22 110.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.217 0 C-N-CA 130.525 3.53 . . . . 0.0 114.837 163.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 t -135.69 95.93 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.644 0 C-N-CA 126.812 2.045 . . . . 0.0 107.551 -170.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -72.88 116.79 13.8 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 120.262 -1.523 . . . . 0.0 108.351 -177.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -151.4 0.19 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.014 1.325 . . . . 0.0 108.971 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -65.98 -57.32 8.07 Favored 'General case' 0 CA--C 1.517 -0.315 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -172.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -139.07 10.14 2.57 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 123.598 1.666 . . . . 0.0 113.214 175.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -120.79 136.57 54.86 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 129.368 3.067 . . . . 0.0 107.201 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.22 115.55 28.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 118.235 -0.888 . . . . 0.0 108.964 175.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 72.8 mt -82.85 92.88 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 171.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 50.5 t -79.21 89.42 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 105.977 -1.86 . . . . 0.0 105.977 166.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -67.65 133.16 48.87 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 106.76 -1.57 . . . . 0.0 106.76 165.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 HG11 ' CG2' ' A' ' 54' ' ' VAL . 0.4 OUTLIER -98.06 159.25 3.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.612 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 173.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -132.74 145.06 50.71 Favored 'General case' 0 C--O 1.24 0.585 0 C-N-CA 125.147 1.379 . . . . 0.0 108.441 165.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.87 149.7 26.06 Favored Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 126.437 1.97 . . . . 0.0 110.166 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -47.8 159.36 0.17 Allowed 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 126.949 2.1 . . . . 0.0 110.164 147.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG22 ' CG1' ' A' ' 54' ' ' VAL . 5.6 tt -122.91 118.06 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 C-N-CA 127.767 2.427 . . . . 0.0 107.324 -172.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -136.3 -175.99 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 121.049 -1.032 . . . . 0.0 112.862 179.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.33 -31.09 68.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.813 1.645 . . . . 0.0 113.483 -177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -76.43 -34.45 58.77 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 119.689 1.132 . . . . 0.0 109.918 173.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -80.76 -10.1 59.75 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.657 1.183 . . . . 0.0 108.347 -178.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.402 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 5.6 t -68.02 -6.12 20.87 Favored 'General case' 0 N--CA 1.434 -1.24 0 C-N-CA 126.862 2.065 . . . . 0.0 113.008 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 85.8 p -111.51 -25.04 9.79 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-N 119.596 1.089 . . . . 0.0 110.78 163.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -72.75 -67.49 0.55 Allowed 'General case' 0 N--CA 1.441 -0.876 0 CA-C-O 117.738 -1.125 . . . . 0.0 110.983 -174.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.9 tt -49.74 -44.85 48.78 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 121.64 2.018 . . . . 0.0 111.12 173.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.438 ' HE2' ' HA ' ' A' ' 64' ' ' THR . 29.6 ttmt -50.85 -55.73 15.59 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 124.087 0.867 . . . . 0.0 110.27 179.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' HA ' ' HG2' ' A' ' 36' ' ' ARG . 3.7 pt-20 -63.38 -43.29 98.04 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.055 0.542 . . . . 0.0 110.468 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.459 ' HB3' HD21 ' A' ' 6' ' ' LEU . 3.6 mm100 -64.52 -24.57 67.65 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.205 0.602 . . . . 0.0 110.118 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 35.3 mt -87.59 -44.41 11.26 Favored 'General case' 0 C--O 1.206 -1.21 0 CA-C-O 114.478 -2.677 . . . . 0.0 111.71 173.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -59.02 -36.71 75.44 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 125.213 3.642 . . . . 0.0 110.631 174.387 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -67.34 -43.52 81.36 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -76.73 -44.09 34.68 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.085 -176.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.411 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.3 mp -49.58 -37.29 11.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 CA-C-N 120.672 1.578 . . . . 0.0 111.366 168.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.45 -14.12 60.07 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 120.068 1.304 . . . . 0.0 112.816 176.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.2 m -84.76 -53.82 5.1 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 120.303 1.41 . . . . 0.0 110.107 167.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.501 HG21 HD11 ' A' ' 47' ' ' ILE . 8.8 t -51.23 113.42 0.93 Allowed 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.775 2.03 . . . . 0.0 111.135 -141.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 t -62.12 -35.46 78.79 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.123 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -91.73 144.37 25.58 Favored 'General case' 0 N--CA 1.464 0.271 0 O-C-N 121.445 -0.784 . . . . 0.0 110.11 -178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 50.2 mttp -78.33 -42.47 30.52 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-O 117.768 -1.111 . . . . 0.0 113.119 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' HA ' ' HB3' ' A' ' 78' ' ' GLU . 2.1 ttpm? -81.57 92.69 6.57 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-O 117.437 -1.268 . . . . 0.0 110.745 -164.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.501 HD11 HG21 ' A' ' 42' ' ' THR . 12.8 mm -85.24 103.3 12.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 106.344 -1.724 . . . . 0.0 106.344 -171.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -94.76 138.1 21.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 106.068 -1.827 . . . . 0.0 106.068 177.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -116.59 111.03 19.31 Favored 'General case' 0 C--O 1.218 -0.554 0 C-N-CA 123.893 0.877 . . . . 0.0 110.144 179.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' OD1' ' HB2' ' A' ' 83' ' ' SER . 9.9 t0 -90.61 114.41 26.66 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 117.182 -1.389 . . . . 0.0 109.391 -173.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.597 HD12 HD11 ' A' ' 84' ' ' LEU . 22.3 mt -107.85 24.35 13.07 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 120.634 1.561 . . . . 0.0 113.31 -166.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.5 p -64.35 -19.69 65.63 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 125.888 1.675 . . . . 0.0 113.145 -174.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 m -105.38 -5.47 20.4 Favored 'General case' 0 N--CA 1.441 -0.916 0 C-N-CA 125.736 1.614 . . . . 0.0 111.037 178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.421 ' CG2' HG11 ' A' ' 19' ' ' VAL . 42.6 t -82.26 101.2 6.77 Favored 'Isoleucine or valine' 0 C--N 1.346 0.416 0 N-CA-C 105.582 -2.007 . . . . 0.0 105.582 -178.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.1 m -92.73 -28.1 16.82 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -173.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -135.98 152.81 51.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.97 1.308 . . . . 0.0 107.626 176.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 12.7 ttt -147.88 132.57 17.87 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.01 1.724 . . . . 0.0 108.173 177.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -98.28 -179.3 4.32 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 123.315 0.646 . . . . 0.0 109.535 170.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.7 m -66.24 -6.89 15.29 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 120.968 -1.082 . . . . 0.0 112.827 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.87 -41.74 82.36 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.645 0.778 . . . . 0.0 109.653 168.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.3 -35.17 77.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 125.268 1.413 . . . . 0.0 110.95 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.4 mt -60.02 -58.73 7.29 Favored 'General case' 0 C--O 1.224 -0.283 0 N-CA-C 107.504 -1.295 . . . . 0.0 107.504 177.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.78 -5.49 13.75 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 127.418 2.437 . . . . 0.0 113.518 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.438 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 9.1 m -96.59 -16.56 20.97 Favored 'General case' 0 N--CA 1.45 -0.454 0 O-C-N 121.43 -1.041 . . . . 0.0 110.563 174.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 50.3 mt -118.08 -43.32 2.75 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 124.737 1.215 . . . . 0.0 110.72 -171.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -64.6 -27.91 43.64 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 C-N-CA 123.48 0.712 . . . . 0.0 110.264 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.23 -43.18 85.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.638 0.775 . . . . 0.0 110.241 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.6 mm -67.39 -22.23 28.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 C-N-CA 124.116 0.966 . . . . 0.0 110.339 -174.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.37 -39.59 70.28 Favored 'General case' 0 C--N 1.342 0.267 0 CA-C-N 119.171 0.896 . . . . 0.0 110.618 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.1 ttpt -71.13 -63.95 1.0 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-O 117.479 -1.248 . . . . 0.0 108.468 170.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -45.43 -44.99 12.59 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.7 1.136 . . . . 0.0 113.607 -171.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.66 -54.5 44.55 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 125.818 1.647 . . . . 0.0 110.781 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -50.83 -43.09 59.01 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.503 1.121 . . . . 0.0 111.364 175.169 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 40.4 mt -54.69 -47.42 73.26 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-N 119.095 0.862 . . . . 0.0 109.062 178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -86.03 -0.75 56.33 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.474 0.654 . . . . 0.0 111.531 -177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.02 41.17 72.06 Favored Glycine 0 CA--C 1.525 0.705 0 C-N-CA 125.201 1.381 . . . . 0.0 111.182 -178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -112.04 152.94 27.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 118.043 0.921 . . . . 0.0 109.207 178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HB3' ' HA ' ' A' ' 46' ' ' LYS . 3.9 tp10 -83.06 -179.85 7.55 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.649 1.179 . . . . 0.0 109.514 179.319 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -157.82 128.63 6.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 O-C-N 121.182 -0.949 . . . . 0.0 110.907 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.467 HG23 ' HG2' ' A' ' 102' ' ' LYS . 75.5 mt -145.57 156.14 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 C-N-CA 128.25 2.62 . . . . 0.0 105.545 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD22 HD11 ' A' ' 51' ' ' LEU . 55.2 mt -117.77 148.44 42.05 Favored 'General case' 0 N--CA 1.452 -0.362 0 N-CA-C 106.229 -1.767 . . . . 0.0 106.229 168.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.55 163.43 32.86 Favored 'General case' 0 N--CA 1.444 -0.728 0 C-N-CA 123.838 0.855 . . . . 0.0 110.595 171.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.414 ' HB2' ' OD1' ' A' ' 50' ' ' ASP . 0.2 OUTLIER 60.16 64.11 1.3 Allowed 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 125.8 1.64 . . . . 0.0 114.64 173.197 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.597 HD11 HD12 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -91.77 149.54 21.55 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 121.293 -0.879 . . . . 0.0 110.359 -175.104 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -79.64 154.31 28.76 Favored 'General case' 0 CA--C 1.498 -1.026 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 165.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -61.23 -31.66 71.45 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.005 -1.452 . . . . 0.0 110.319 -177.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 36.0 m -76.74 -19.16 57.97 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-O 118.419 -0.801 . . . . 0.0 112.577 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.8 mm -97.74 -38.33 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 -179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.35 -46.26 90.96 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 -179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.7 ptm180 -56.76 -38.64 72.73 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 120.554 -1.341 . . . . 0.0 112.15 170.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.77 -46.69 88.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 107.663 -1.236 . . . . 0.0 107.663 -173.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.5 mt -62.44 -44.21 96.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 30.1 tttt -58.61 -53.64 56.08 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.562 1.074 . . . . 0.0 111.187 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.7 mt -49.33 -57.03 7.59 Favored 'General case' 0 CA--C 1.518 -0.279 0 C-N-CA 127.295 2.238 . . . . 0.0 109.992 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.11 16.26 2.47 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.961 0.904 . . . . 0.0 112.367 -177.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 59.45 4.58 0.52 Allowed 'General case' 0 C--O 1.217 -0.63 0 C-N-CA 129.494 3.117 . . . . 0.0 114.724 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.64 -35.94 71.17 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-N 120.065 1.302 . . . . 0.0 112.254 177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -66.7 -22.51 66.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 118.454 0.57 . . . . 0.0 111.677 -174.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.58 2.09 46.41 Favored 'General case' 0 N--CA 1.446 -0.644 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.533 172.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 5.4 pt -131.01 -25.11 0.91 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 CA-C-N 120.449 1.477 . . . . 0.0 111.866 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -82.45 -175.12 5.56 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 126.862 2.065 . . . . 0.0 109.43 170.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' HG2' HG23 ' A' ' 80' ' ' ILE . 30.7 tttt -125.85 128.02 46.98 Favored 'General case' 0 CA--C 1.507 -0.704 0 C-N-CA 124.666 1.187 . . . . 0.0 107.81 171.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.3 mp -131.29 115.66 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 O-C-N 125.047 1.467 . . . . 0.0 107.868 -175.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -117.65 178.52 4.37 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.312 1.845 . . . . 0.0 110.389 176.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -96.02 -42.96 8.0 Favored 'General case' 0 CA--C 1.515 -0.388 0 O-C-N 120.707 -1.246 . . . . 0.0 111.121 -169.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 31.5 p -121.14 152.25 38.95 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 22.0 m -65.08 -15.78 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 O-C-N 121.545 -0.722 . . . . 0.0 111.373 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -77.08 -35.05 56.85 Favored 'General case' 0 N--CA 1.443 -0.784 0 CA-C-O 117.972 -1.013 . . . . 0.0 112.157 175.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.11 -28.84 65.71 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 120.127 1.331 . . . . 0.0 110.807 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.244 0.793 0 C-N-CA 125.507 1.523 . . . . 0.0 110.27 -176.085 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -151.51 141.37 21.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 108.393 -0.965 . . . . 0.0 108.393 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -175.54 57.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 127.645 2.378 . . . . 0.0 105.471 176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.43 ' CD2' ' HB3' ' A' ' 30' ' ' GLU 0.292 0.1 OUTLIER 62.67 126.91 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.745 2.018 . . . . 0.0 112.62 -173.309 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 42.6 mttp -153.75 172.79 16.76 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.858 1.663 . . . . 0.0 108.243 175.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -114.61 159.99 19.81 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 177.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.25 -38.73 5.67 Favored 'General case' 0 CA--C 1.517 -0.301 0 C-N-CA 124.15 0.98 . . . . 0.0 110.99 -165.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 77.6 mt 62.26 116.52 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 127.116 2.166 . . . . 0.0 113.522 165.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.5 t -139.22 91.54 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.637 0 C-N-CA 125.89 1.676 . . . . 0.0 107.067 -174.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -67.65 115.73 7.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 120.494 -1.379 . . . . 0.0 109.562 177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -79.71 -158.95 0.18 Allowed 'General case' 0 N--CA 1.442 -0.846 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 171.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 4.3 m-20 -63.6 -59.68 4.3 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 126.301 1.84 . . . . 0.0 111.026 178.503 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -135.04 3.65 3.18 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.749 0.82 . . . . 0.0 111.956 -177.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -115.26 135.45 54.14 Favored 'General case' 0 N--CA 1.446 -0.637 0 O-C-N 120.552 -1.342 . . . . 0.0 109.664 166.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -88.73 110.35 20.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 117.971 -1.014 . . . . 0.0 108.496 170.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.7 92.68 2.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 CA-C-N 119.466 1.03 . . . . 0.0 108.513 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.527 HG11 HD21 ' A' ' 35' ' ' LEU . 47.3 t -86.69 90.38 3.18 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.347 0 CA-C-O 123.549 1.642 . . . . 0.0 108.146 178.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 31.5 mtm180 -73.36 120.07 18.46 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.402 -1.272 . . . . 0.0 108.038 175.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.1 t -80.04 154.76 4.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 174.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 68.7 mt-30 -129.74 127.25 40.04 Favored 'General case' 0 N--CA 1.443 -0.82 0 C-N-CA 125.703 1.601 . . . . 0.0 109.94 159.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 120.42 169.65 14.02 Favored Glycine 0 N--CA 1.437 -1.243 0 N-CA-C 107.83 -2.108 . . . . 0.0 107.83 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -69.81 -169.96 0.29 Allowed 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 129.736 3.214 . . . . 0.0 109.309 166.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.515 HD13 HD13 ' A' ' 31' ' ' LEU . 4.9 tp -145.03 96.85 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 O-C-N 120.224 -1.548 . . . . 0.0 110.963 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.9 p30 -133.9 -175.52 3.87 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 124.999 1.32 . . . . 0.0 112.04 -179.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.92 -17.81 10.95 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.825 2.05 . . . . 0.0 114.89 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -87.95 -33.11 18.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 119.896 1.225 . . . . 0.0 109.8 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.05 -15.87 49.29 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.4 m -58.87 -2.1 0.21 Allowed 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 114.808 1.411 . . . . 0.0 114.808 170.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 74.0 p -120.19 -35.37 3.47 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 117.647 -1.168 . . . . 0.0 112.191 156.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 2.0 tp10 -63.94 -58.37 6.95 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 119.487 1.039 . . . . 0.0 109.898 -172.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.59 HD23 ' C ' ' A' ' 31' ' ' LEU . 6.3 tt -55.06 -50.73 68.4 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 119.261 0.937 . . . . 0.0 108.509 175.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 8.6 ttpt -52.65 -42.24 64.52 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.447 -175.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -76.12 -39.63 54.7 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 123.363 0.665 . . . . 0.0 110.604 -174.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -51.17 -43.91 61.4 Favored 'General case' 0 C--O 1.221 -0.412 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.527 HD21 HG11 ' A' ' 17' ' ' VAL . 88.5 mt -84.96 -46.79 10.9 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 115.862 -2.018 . . . . 0.0 113.086 -172.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.44 -31.37 61.87 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 122.982 2.628 . . . . 0.0 110.886 175.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -72.76 -53.45 11.57 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.403 1.081 . . . . 0.0 109.382 174.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -69.55 -41.42 75.92 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.742 -169.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.3 mp -45.27 -35.27 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 CA-C-N 119.696 1.134 . . . . 0.0 113.124 170.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.01 -46.55 56.73 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 119.672 1.124 . . . . 0.0 110.56 176.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -65.45 -39.82 92.49 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-O 118.629 -0.701 . . . . 0.0 111.878 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.9 t -65.27 134.43 53.61 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 119.331 -0.947 . . . . 0.0 112.022 -154.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.69 4.99 26.25 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 128.299 2.64 . . . . 0.0 112.194 178.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.421 ' HE2' ' O ' ' A' ' 12' ' ' ASP . 3.4 mptt -126.92 155.14 43.53 Favored 'General case' 0 CA--C 1.496 -1.127 0 CA-C-N 120.468 1.485 . . . . 0.0 108.431 173.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mtpt -86.85 -42.48 13.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 113.399 -1.728 . . . . 0.0 110.009 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.5 ttmt -79.75 86.78 5.29 Favored 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 119.942 1.246 . . . . 0.0 111.957 -171.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.4 mm -79.83 93.53 1.86 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 N-CA-C 106.93 -1.507 . . . . 0.0 106.93 -175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.5 t -83.72 147.62 5.64 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 0 N-CA-C 106.356 -1.72 . . . . 0.0 106.356 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.25 150.53 36.04 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 172.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 16.4 t0 -123.0 118.51 27.95 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 177.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -115.31 20.8 14.62 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 125.019 1.327 . . . . 0.0 111.212 -168.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -26.24 64.19 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 126.715 2.006 . . . . 0.0 112.863 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 m -89.06 -6.55 57.03 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.193 1.397 . . . . 0.0 113.033 173.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 80.1 t -89.66 103.03 13.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.86 -30.99 22.49 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.742 1.217 . . . . 0.0 111.361 173.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -135.49 150.24 49.74 Favored 'General case' 0 CA--C 1.515 -0.366 0 C-N-CA 126.025 1.73 . . . . 0.0 109.603 -173.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.442 ' HG3' HG23 ' A' ' 23' ' ' ILE . 8.2 ttm -139.04 129.45 25.67 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 124.348 1.059 . . . . 0.0 108.572 173.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -81.92 160.87 23.29 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 166.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.2 m -57.06 2.62 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.062 2.145 . . . . 0.0 115.258 167.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.78 -10.6 14.02 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 120.288 1.404 . . . . 0.0 113.655 167.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.498 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -51.54 -61.02 6.71 Favored Glycine 0 C--O 1.204 -1.74 0 CA-C-O 123.957 1.865 . . . . 0.0 109.381 170.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.695 HD13 ' H ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -52.14 -38.04 56.26 Favored 'General case' 0 C--N 1.303 -1.426 0 O-C-N 118.445 -2.797 . . . . 0.0 114.108 178.569 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.522 ' H ' HD22 ' A' ' 62' ' ' LEU . . . -71.09 -19.12 77.0 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 179.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 24.2 m -72.93 -51.18 19.48 Favored 'General case' 0 N--CA 1.445 -0.721 0 C-N-CA 127.226 2.21 . . . . 0.0 107.296 168.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD12 HD21 ' A' ' 81' ' ' LEU . 2.6 mm? -66.3 -49.95 65.29 Favored 'General case' 0 N--CA 1.439 -1.002 0 C-N-CA 123.597 0.759 . . . . 0.0 111.748 -173.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -59.66 -24.83 30.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.462 0 CA-C-N 119.386 0.994 . . . . 0.0 113.432 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 55.6 t -61.35 -43.61 96.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 124.517 1.127 . . . . 0.0 108.673 172.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.8 mm -62.66 -32.36 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.744 1.218 . . . . 0.0 111.623 -174.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.4 tp -52.48 -40.61 62.54 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 119.829 1.195 . . . . 0.0 110.299 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -73.14 -64.25 1.01 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 116.981 -1.485 . . . . 0.0 108.657 -179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -38.0 -45.83 0.93 Allowed 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 120.721 1.601 . . . . 0.0 112.649 173.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.45 -59.94 4.6 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 126.081 1.752 . . . . 0.0 110.57 172.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.39 -38.05 51.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 125.753 1.621 . . . . 0.0 112.575 175.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 62.5 mt -56.7 -46.92 83.16 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 124.851 1.26 . . . . 0.0 108.224 176.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -93.13 10.32 32.18 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.053 1.341 . . . . 0.0 111.72 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.61 35.01 79.92 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 124.729 1.157 . . . . 0.0 113.541 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.7 mmtm -103.93 167.29 9.87 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 118.071 0.935 . . . . 0.0 109.651 -178.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -104.7 169.51 8.42 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.453 2.301 . . . . 0.0 109.43 174.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -151.5 132.53 14.31 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.336 -0.852 . . . . 0.0 110.372 -175.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 55.5 mt -148.57 150.49 14.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 126.798 2.039 . . . . 0.0 107.829 -179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.426 HD21 HD12 ' A' ' 65' ' ' LEU . 66.6 mt -117.17 130.85 56.87 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.45 1.5 . . . . 0.0 108.262 175.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.46 160.75 34.26 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.012 0.525 . . . . 0.0 110.884 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.86 28.07 15.51 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.294 1.437 . . . . 0.0 113.714 -175.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.442 HD12 HG23 ' A' ' 103' ' ' ILE . 19.5 mt -61.62 133.69 55.92 Favored 'General case' 0 C--O 1.237 0.426 0 O-C-N 120.623 -1.298 . . . . 0.0 108.499 170.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 80.6 mttt -72.52 159.98 33.04 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-O 121.538 0.685 . . . . 0.0 109.265 177.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -58.23 -31.37 67.3 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 113.924 -1.489 . . . . 0.0 110.241 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.6 m -80.36 -12.9 59.53 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.893 0.877 . . . . 0.0 112.616 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 33.9 mm -108.75 -36.47 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.971 1.308 . . . . 0.0 108.346 -178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 14.9 m -59.41 -49.0 79.49 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -53.75 -36.14 62.03 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 121.466 -0.772 . . . . 0.0 112.69 172.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -69.24 -49.4 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -172.119 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 31.3 mt -59.1 -45.43 90.88 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 176.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -60.02 -47.72 84.68 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 120.142 -1.599 . . . . 0.0 111.823 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 16.6 mt -51.88 -63.12 1.24 Allowed 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 126.447 1.899 . . . . 0.0 108.109 176.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -76.44 19.99 0.24 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.962 1.305 . . . . 0.0 113.404 -178.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 52.75 30.07 8.39 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 127.755 2.422 . . . . 0.0 114.299 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.91 -30.6 22.72 Favored 'General case' 0 C--N 1.319 -0.753 0 C-N-CA 127.462 2.305 . . . . 0.0 110.773 179.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -49.67 71.29 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.066 0.848 . . . . 0.0 108.842 -178.377 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.14 4.35 0.14 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 126.187 1.795 . . . . 0.0 115.744 -179.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 pt -139.26 5.98 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 C-N-CA 126.979 2.112 . . . . 0.0 111.463 -176.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.32 -161.65 1.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 130.106 3.363 . . . . 0.0 109.736 -178.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.9 tttp -140.81 126.15 18.71 Favored 'General case' 0 CA--C 1.517 -0.319 0 C-N-CA 126.533 1.933 . . . . 0.0 111.789 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.442 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -130.49 115.04 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.651 0 C-N-CA 125.596 1.558 . . . . 0.0 109.893 -171.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.2 p -121.46 177.33 5.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 125.159 1.384 . . . . 0.0 109.879 174.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -93.7 -53.36 4.06 Favored 'General case' 0 N--CA 1.445 -0.713 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 -169.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 44.1 p -110.25 153.39 24.89 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.154 -1.424 . . . . 0.0 107.154 179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.94 -26.5 35.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 O-C-N 121.409 -0.807 . . . . 0.0 111.072 169.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -41.8 93.35 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-O 118.302 -0.856 . . . . 0.0 109.547 177.413 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -73.42 -13.57 61.1 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 119.682 1.128 . . . . 0.0 113.297 -177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.897 0 C-N-CA 125.296 1.438 . . . . 0.0 110.041 -172.513 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.1 mtt . . . . . 0 N--CA 1.467 0.376 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -111.8 165.77 11.77 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 124.914 1.285 . . . . 0.0 109.045 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -147.9 76.96 1.4 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 -170.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.73 126.06 10.06 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 127.664 2.386 . . . . 0.0 108.837 -167.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -172.0 -170.73 0.78 Allowed 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 125.799 1.64 . . . . 0.0 111.543 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.493 HD22 HG12 ' A' ' 17' ' ' VAL . 11.2 mt -121.35 159.54 25.89 Favored 'General case' 0 N--CA 1.42 -1.935 0 C-N-CA 127.854 2.462 . . . . 0.0 106.973 169.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.476 ' HB2' ' CB ' ' A' ' 18' ' ' ARG . 7.4 m-20 -103.87 -53.75 2.7 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.502 1.921 . . . . 0.0 107.379 177.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 69.0 mt 57.67 129.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 C-N-CA 130.455 3.502 . . . . 0.0 113.17 -172.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 16' ' ' ILE . 4.3 t -143.21 81.31 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 175.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -57.47 110.84 0.94 Allowed 'General case' 0 C--O 1.232 0.183 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 170.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -99.9 -164.29 1.11 Allowed 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 124.54 1.136 . . . . 0.0 108.339 -175.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -58.2 -61.84 2.27 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 127.281 2.232 . . . . 0.0 113.216 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -129.35 7.35 5.37 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 125.621 1.568 . . . . 0.0 110.704 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.5 ptmt -140.81 137.41 33.29 Favored 'General case' 0 N--CA 1.445 -0.705 0 C-N-CA 129.0 2.92 . . . . 0.0 106.532 -164.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.29 109.12 20.98 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.414 ' HB ' ' HB ' ' A' ' 9' ' ' VAL . 77.1 mt -80.21 112.85 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 N-CA-C 105.24 -2.133 . . . . 0.0 105.24 176.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.493 HG12 HD22 ' A' ' 6' ' ' LEU . 66.3 t -99.08 85.04 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.515 -0.389 0 N-CA-C 105.405 -2.072 . . . . 0.0 105.405 163.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' CB ' ' HB2' ' A' ' 7' ' ' ASP . 5.5 mtp85 -61.5 127.47 31.61 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 166.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' HA ' HD23 ' A' ' 6' ' ' LEU . 2.9 t -88.82 159.31 2.93 Favored 'Isoleucine or valine' 0 C--O 1.238 0.496 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 171.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -124.57 147.45 48.44 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.04 0.936 . . . . 0.0 112.061 154.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 91.07 153.08 29.0 Favored Glycine 0 C--N 1.333 0.407 0 C-N-CA 124.417 1.008 . . . . 0.0 112.17 173.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.07 166.9 1.4 Allowed 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.267 1.027 . . . . 0.0 111.871 164.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.438 HD12 HD21 ' A' ' 27' ' ' ASN . 1.4 tt -138.69 96.88 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 C-N-CA 126.804 2.042 . . . . 0.0 110.101 -151.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 46.9 p30 -148.48 -165.96 2.41 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 125.103 1.361 . . . . 0.0 111.083 -170.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.63 -28.56 5.94 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.619 1.568 . . . . 0.0 113.332 -177.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -69.66 -44.38 70.63 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.488 1.115 . . . . 0.0 109.404 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.438 HD21 HD12 ' A' ' 23' ' ' ILE . 0.9 OUTLIER -86.36 -13.47 46.37 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -179.513 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.6 t -61.04 -4.38 1.05 Allowed 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 179.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.2 p -120.62 -37.36 3.02 Favored 'General case' 0 C--O 1.227 -0.105 0 O-C-N 120.343 -1.473 . . . . 0.0 112.706 150.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -57.0 -65.22 0.66 Allowed 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.332 0.653 . . . . 0.0 110.723 -171.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.627 HD23 ' C ' ' A' ' 31' ' ' LEU . 7.3 tt -53.38 -47.78 69.19 Favored 'General case' 0 C--N 1.34 0.167 0 CA-C-N 118.828 0.74 . . . . 0.0 110.558 174.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -50.94 -43.92 60.31 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.022 0.929 . . . . 0.0 110.355 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -70.77 -45.62 64.43 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.487 ' HB3' HD12 ' A' ' 6' ' ' LEU . 31.4 mm-40 -57.75 -14.37 5.66 Favored 'General case' 0 C--N 1.335 -0.041 0 C-N-CA 124.734 1.214 . . . . 0.0 113.238 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.436 HD12 HD21 ' A' ' 31' ' ' LEU . 56.8 mt -105.07 -49.98 3.35 Favored 'General case' 0 C--O 1.21 -0.98 0 CA-C-O 115.292 -2.289 . . . . 0.0 112.095 171.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 16.6 ptt180 -64.19 -33.98 77.05 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 123.819 3.009 . . . . 0.0 111.519 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -72.41 -38.5 68.37 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.113 0.965 . . . . 0.0 108.977 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -68.79 -52.06 34.32 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 117.607 -1.187 . . . . 0.0 110.018 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 8.3 mt -48.68 -37.36 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 119.596 1.089 . . . . 0.0 112.629 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -58.76 -47.94 82.94 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.091 1.356 . . . . 0.0 110.106 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.2 m -64.51 -54.81 26.4 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.861 0.865 . . . . 0.0 111.202 171.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -55.31 118.12 4.13 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 126.043 1.737 . . . . 0.0 112.076 -147.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.0 t -58.18 -47.77 82.39 Favored 'General case' 0 N--CA 1.444 -0.741 0 C-N-CA 125.612 1.565 . . . . 0.0 108.768 171.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.24 132.21 34.31 Favored 'General case' 0 CA--C 1.512 -0.489 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -163.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -69.87 -52.41 25.08 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 118.866 -0.588 . . . . 0.0 112.051 -174.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.3 ttmt -73.65 97.78 2.73 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 117.162 -1.399 . . . . 0.0 111.87 -163.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -85.86 99.89 8.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 N-CA-C 106.774 -1.565 . . . . 0.0 106.774 -176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.1 t -92.0 140.7 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.78 99.25 4.12 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 120.217 1.371 . . . . 0.0 112.967 -166.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -80.55 139.49 36.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.581 1.952 . . . . 0.0 110.891 -169.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' CD2' HG21 ' A' ' 54' ' ' VAL . 93.4 mt -131.46 19.49 4.78 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -172.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.47 ' O ' ' HE2' ' A' ' 85' ' ' LYS . 0.5 OUTLIER -67.35 -11.91 58.85 Favored 'General case' 0 CA--C 1.546 0.811 0 O-C-N 120.704 -1.247 . . . . 0.0 113.889 178.369 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -88.49 -7.54 56.36 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 119.955 -1.716 . . . . 0.0 110.83 174.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 21' ' ' GLY . 35.0 t -107.75 97.62 5.92 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.288 0 O-C-N 120.531 -1.356 . . . . 0.0 108.416 -158.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.99 -9.92 23.36 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 -178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -138.06 155.11 49.13 Favored 'General case' 0 N--CA 1.443 -0.8 0 N-CA-C 107.847 -1.168 . . . . 0.0 107.847 177.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 16.7 ttt -154.51 127.01 7.96 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -86.33 175.63 8.33 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 122.435 1.112 . . . . 0.0 108.151 167.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.89 -32.97 4.15 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 127.86 2.464 . . . . 0.0 111.596 160.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.1 -41.81 63.64 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -170.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -45.36 -52.84 8.41 Favored Glycine 0 N--CA 1.439 -1.157 0 C-N-CA 126.195 1.855 . . . . 0.0 113.241 172.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.528 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -66.25 -48.47 70.39 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -174.34 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -56.08 -19.51 23.71 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 126.301 1.905 . . . . 0.0 112.839 174.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 99.4 m -95.31 -5.5 43.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 118.806 1.303 . . . . 0.0 110.154 -174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.7 mt -113.85 -43.9 3.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.913 1.285 . . . . 0.0 109.36 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.92 -29.36 45.34 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 O-C-N 121.632 -0.668 . . . . 0.0 111.944 177.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 p -67.59 -37.28 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 O-C-N 121.054 -1.029 . . . . 0.0 110.744 174.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 16.6 mm -71.72 -26.91 26.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 O-C-N 121.253 -0.905 . . . . 0.0 109.539 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 tp -58.37 -32.4 68.54 Favored 'General case' 0 C--O 1.234 0.287 0 O-C-N 121.902 -0.498 . . . . 0.0 110.375 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -71.14 -61.65 1.69 Allowed 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 117.082 -1.437 . . . . 0.0 109.625 168.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -41.95 -44.7 3.55 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 120.738 1.608 . . . . 0.0 114.043 -178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.94 -61.0 2.86 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 126.25 1.82 . . . . 0.0 108.84 174.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -42.25 61.07 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 117.424 -1.274 . . . . 0.0 112.15 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.35 -43.36 51.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 CA-C-N 119.89 1.223 . . . . 0.0 109.082 178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -96.12 9.78 39.8 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.289 1.036 . . . . 0.0 112.22 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.34 17.55 78.93 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 125.186 1.374 . . . . 0.0 112.57 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -92.15 160.18 15.31 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 -176.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.68 -176.64 3.53 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 124.4 1.08 . . . . 0.0 110.852 -174.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -159.08 126.17 4.76 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.259 -0.901 . . . . 0.0 110.284 175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.473 HG23 ' HG2' ' A' ' 102' ' ' LYS . 80.0 mt -143.38 137.48 25.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 C-N-CA 126.987 2.115 . . . . 0.0 105.619 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 93.9 mt -97.85 153.49 18.27 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 169.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.29 172.77 12.98 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 171.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 50.87 35.56 12.63 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.618 1.567 . . . . 0.0 112.193 178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD12 HG23 ' A' ' 103' ' ' ILE . 4.9 mt -68.56 120.21 14.24 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 121.687 -0.633 . . . . 0.0 110.432 -176.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.47 ' HE2' ' O ' ' A' ' 52' ' ' SER . 38.9 mttt -55.9 149.34 15.19 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 115.606 -0.725 . . . . 0.0 109.486 170.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -62.9 -33.17 74.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.941 -1.027 . . . . 0.0 109.465 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.9 m -62.45 -22.4 66.18 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.286 179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 22.7 mm -112.55 -34.53 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 125.227 1.411 . . . . 0.0 108.841 -171.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 47.5 t -56.81 -52.34 65.45 Favored 'General case' 0 N--CA 1.441 -0.921 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 176.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 35.6 ptt180 -55.09 -38.58 68.3 Favored 'General case' 0 C--O 1.213 -0.86 0 CA-C-O 117.786 -1.102 . . . . 0.0 111.88 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.61 -48.55 79.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 N-CA-C 106.697 -1.594 . . . . 0.0 106.697 -171.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 18.2 mt -59.32 -45.32 91.64 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -60.69 -51.69 68.28 Favored 'General case' 0 N--CA 1.443 -0.775 0 O-C-N 121.165 -0.959 . . . . 0.0 111.16 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 36.5 mt -46.44 -57.34 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.353 2.661 . . . . 0.0 110.039 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.272 36.2 m -78.33 13.96 1.37 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 113.497 0.925 . . . . 0.0 113.497 -175.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 9.3 m80 54.78 37.68 28.86 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 125.995 1.718 . . . . 0.0 111.715 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 100' ' ' ILE . 0.2 OUTLIER -100.01 -33.18 10.6 Favored 'General case' 0 N--CA 1.441 -0.889 0 C-N-CA 126.869 2.068 . . . . 0.0 109.804 -176.613 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -40.28 94.29 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.681 0.673 . . . . 0.0 110.184 177.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.44 -8.97 29.55 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.37 1.468 . . . . 0.0 114.354 -178.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.541 HD11 HD22 ' A' ' 97' ' ' LEU . 23.2 pt -125.09 2.44 4.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 125.569 1.548 . . . . 0.0 111.121 -174.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -118.19 -169.97 1.8 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 129.855 3.262 . . . . 0.0 107.589 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HG2' HG23 ' A' ' 80' ' ' ILE . 62.2 tttt -131.4 137.92 48.88 Favored 'General case' 0 CA--C 1.504 -0.801 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 168.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.425 HG23 HD12 ' A' ' 84' ' ' LEU . 3.7 mp -128.15 142.64 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 -174.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 10.6 p -144.45 -177.81 5.67 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 127.102 2.161 . . . . 0.0 108.577 174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.66 -53.29 2.66 Favored 'General case' 0 CA--C 1.509 -0.631 0 C-N-CA 126.194 1.798 . . . . 0.0 108.669 -166.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 20.5 p -114.96 143.18 45.57 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 173.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 3.9 t -53.78 -32.04 21.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 108.731 -0.841 . . . . 0.0 108.731 173.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.51 -19.25 63.42 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 126.396 1.878 . . . . 0.0 113.386 177.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -89.39 -9.53 49.95 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.08 1.352 . . . . 0.0 113.482 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 C-N-CA 126.584 1.953 . . . . 0.0 112.749 -173.632 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 107.035 -1.468 . . . . 0.0 107.035 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -123.86 -45.31 2.03 Favored 'General case' 0 N--CA 1.463 0.179 0 C-N-CA 124.272 1.029 . . . . 0.0 110.4 -167.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 51.0 t30 56.39 49.27 15.34 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 126.56 1.944 . . . . 0.0 111.078 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.267 0.0 OUTLIER 65.28 130.08 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 130.187 3.395 . . . . 0.0 113.251 -178.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 23.7 mttt -159.8 173.13 16.45 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 125.688 1.595 . . . . 0.0 108.604 174.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.817 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -107.96 167.78 9.74 Favored 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 125.734 1.613 . . . . 0.0 108.102 175.245 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.16 -24.98 4.98 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 123.985 0.914 . . . . 0.0 111.761 -170.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.6 mt 41.23 106.65 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 130.851 3.66 . . . . 0.0 116.606 164.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.5 t -134.61 89.73 0.93 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 127.448 2.299 . . . . 0.0 108.627 -176.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -57.93 112.86 1.63 Allowed 'General case' 0 N--CA 1.463 0.185 0 O-C-N 120.288 -1.507 . . . . 0.0 107.976 171.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.414 ' O ' ' HE2' ' A' ' 44' ' ' LYS . 5.8 tt0 -80.04 -155.65 0.11 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.179 0.992 . . . . 0.0 108.553 172.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -73.87 -43.47 58.48 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 120.594 -1.317 . . . . 0.0 112.067 -175.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -130.2 -18.32 3.3 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.998 0.919 . . . . 0.0 111.76 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -105.49 150.47 25.29 Favored 'General case' 0 C--N 1.344 0.342 0 O-C-N 121.208 -0.932 . . . . 0.0 110.204 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.8 106.98 19.31 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.463 HG23 HG11 ' A' ' 107' ' ' VAL . 46.4 mt -78.89 87.01 1.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 107.102 -1.444 . . . . 0.0 107.102 176.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.3 78.87 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 171.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.468 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 58.4 mtt180 -54.45 133.76 45.79 Favored 'General case' 0 C--O 1.237 0.417 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 163.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -119.11 145.59 24.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 119.208 0.913 . . . . 0.0 108.584 173.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -130.82 138.59 49.95 Favored 'General case' 0 N--CA 1.442 -0.87 0 C-N-CA 124.167 0.987 . . . . 0.0 109.817 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 92.0 147.56 20.76 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 125.799 1.666 . . . . 0.0 111.018 178.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -53.78 155.5 3.23 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 126.468 1.907 . . . . 0.0 112.455 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 HG22 ' CG1' ' A' ' 54' ' ' VAL . 1.0 OUTLIER -108.65 84.32 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 C-N-CA 125.323 1.449 . . . . 0.0 109.524 -170.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -139.52 -164.33 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 124.49 1.116 . . . . 0.0 112.416 -173.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 28' ' ' SER . . . -48.8 -30.96 6.29 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.936 1.294 . . . . 0.0 113.198 172.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -64.59 -34.63 78.71 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 119.855 1.207 . . . . 0.0 109.547 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.85 -13.77 19.06 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 117.983 -1.008 . . . . 0.0 112.494 -179.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.405 ' HB2' ' HA ' ' A' ' 25' ' ' ALA . 38.2 t -43.73 -24.23 0.12 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.283 1.833 . . . . 0.0 115.134 -178.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.1 p -121.68 -26.19 4.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 117.899 -1.048 . . . . 0.0 113.426 162.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -63.94 -65.38 0.69 Allowed 'General case' 0 C--N 1.34 0.187 0 CA-C-N 119.479 1.036 . . . . 0.0 109.474 -171.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.55 HD21 HD12 ' A' ' 35' ' ' LEU . 9.5 tt -55.93 -45.59 78.72 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 124.578 1.151 . . . . 0.0 109.803 178.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HB2' HG23 ' A' ' 64' ' ' THR . 28.4 ttpt -51.84 -44.25 63.51 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 115.462 -0.79 . . . . 0.0 109.041 -177.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -67.04 -47.37 71.57 Favored 'General case' 0 CA--C 1.52 -0.19 0 C-N-CA 123.765 0.826 . . . . 0.0 110.389 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.541 ' CD ' HD21 ' A' ' 6' ' ' LEU . 18.3 mm-40 -56.21 -18.76 11.2 Favored 'General case' 0 C--O 1.232 0.144 0 C-N-CA 125.129 1.372 . . . . 0.0 112.278 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.55 HD12 HD21 ' A' ' 31' ' ' LEU . 29.2 mt -106.37 -48.57 3.53 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-O 115.012 -2.423 . . . . 0.0 111.297 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -57.22 -33.1 67.18 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 124.019 3.1 . . . . 0.0 110.834 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -68.4 -48.71 63.97 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 124.81 1.244 . . . . 0.0 109.054 177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -71.5 -47.09 57.62 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-O 116.991 -1.48 . . . . 0.0 111.842 -176.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.429 ' HA ' HG22 ' A' ' 42' ' ' THR . 1.1 mp -44.09 -40.62 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 120.348 1.431 . . . . 0.0 112.046 169.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.38 -42.75 98.85 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.724 0.693 . . . . 0.0 110.486 -179.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -72.11 -49.13 38.63 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.834 0.853 . . . . 0.0 112.711 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.429 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.1 t -57.56 126.5 27.62 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 123.168 1.461 . . . . 0.0 112.847 -147.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.3 m -77.79 -7.59 56.81 Favored 'General case' 0 N--CA 1.441 -0.914 0 C-N-CA 126.101 1.76 . . . . 0.0 112.648 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.414 ' HE2' ' O ' ' A' ' 11' ' ' GLN . 45.9 mmtm -124.97 108.18 11.6 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 105.989 -1.856 . . . . 0.0 105.989 -169.325 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.0 mtmm -67.23 -25.25 66.01 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 119.127 0.876 . . . . 0.0 112.37 -163.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.7 tttt -86.47 87.28 7.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 118.833 0.742 . . . . 0.0 109.647 -166.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.425 ' CD1' HG21 ' A' ' 42' ' ' THR . 8.2 mm -82.23 99.55 5.34 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 N-CA-C 106.38 -1.711 . . . . 0.0 106.38 -170.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.8 t -96.64 127.46 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 -177.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' HB2' HD23 ' A' ' 81' ' ' LEU . 4.3 mm? -112.34 99.22 7.84 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 124.987 1.315 . . . . 0.0 109.157 -172.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.468 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 9.6 t0 -73.81 130.03 39.1 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.408 1.083 . . . . 0.0 108.475 174.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 81' ' ' LEU . 58.5 mt -121.5 14.96 11.16 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 118.509 0.595 . . . . 0.0 112.183 -174.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.2 p -44.09 -36.19 2.47 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 127.117 2.167 . . . . 0.0 113.669 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 m -101.6 16.37 25.96 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 119.434 1.016 . . . . 0.0 112.501 -177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.538 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 14.2 t -103.35 153.44 5.8 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.872 0 N-CA-C 104.254 -2.498 . . . . 0.0 104.254 166.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.411 ' O ' HD11 ' A' ' 88' ' ' ILE . 0.6 OUTLIER -156.88 -20.09 0.09 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 120.199 1.363 . . . . 0.0 112.572 171.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -112.08 146.08 38.6 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.111 1.364 . . . . 0.0 107.526 166.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 21.7 ttt -150.55 156.41 41.35 Favored 'General case' 0 N--CA 1.44 -0.965 0 C-N-CA 126.089 1.756 . . . . 0.0 107.142 176.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 p30 -150.83 -168.57 3.14 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 126.659 1.984 . . . . 0.0 108.812 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.23 -22.81 66.92 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.67 -41.99 43.44 Favored 'General case' 0 N--CA 1.446 -0.634 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.402 ' HA2' HG13 ' A' ' 23' ' ' ILE . . . -49.55 -59.92 6.8 Favored Glycine 0 N--CA 1.438 -1.2 0 C-N-CA 123.821 0.724 . . . . 0.0 113.612 166.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.767 HD13 HD11 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -61.65 -45.35 94.42 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 123.329 0.652 . . . . 0.0 109.326 -171.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.5 -14.18 48.11 Favored Glycine 0 CA--C 1.528 0.856 0 C-N-CA 125.502 1.525 . . . . 0.0 112.983 178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.446 HG23 ' HB2' ' A' ' 32' ' ' LYS . 56.4 m -103.5 -4.03 24.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.196 1.799 . . . . 0.0 110.779 -174.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.5 mt -110.73 -42.73 3.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.777 1.231 . . . . 0.0 109.189 173.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -63.84 -29.01 46.15 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 C-N-CA 124.579 1.151 . . . . 0.0 110.806 -175.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.65 -40.71 87.66 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 125.79 1.636 . . . . 0.0 111.484 170.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 46.5 mm -70.6 -32.23 48.9 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.096 -165.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.5 -40.23 78.22 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 120.521 1.509 . . . . 0.0 110.593 175.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt -65.47 -67.91 0.4 Allowed 'General case' 0 C--O 1.213 -0.855 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -42.06 -41.8 2.69 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 127.463 2.305 . . . . 0.0 112.811 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.81 -61.4 2.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 127.369 2.267 . . . . 0.0 111.181 169.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.86 -36.93 63.14 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 120.209 1.368 . . . . 0.0 111.616 176.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.38 -31.85 49.59 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 125.964 1.705 . . . . 0.0 109.509 176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.09 6.82 43.44 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.771 1.026 . . . . 0.0 113.771 172.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.79 40.16 64.93 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.73 1.157 . . . . 0.0 112.682 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -118.36 166.85 12.14 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 125.035 1.334 . . . . 0.0 109.879 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -98.1 -172.65 2.4 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.639 1.575 . . . . 0.0 111.399 176.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -167.91 118.81 0.83 Allowed 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.945 1.298 . . . . 0.0 109.37 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.13 152.57 32.68 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 127.124 2.17 . . . . 0.0 106.871 -178.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.489 HD22 HD11 ' A' ' 51' ' ' LEU . 75.3 mt -117.77 139.51 50.96 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 119.727 1.149 . . . . 0.0 108.286 176.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.66 172.48 12.69 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.712 0.805 . . . . 0.0 111.577 172.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t 49.81 40.8 21.25 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 126.614 1.966 . . . . 0.0 110.689 -171.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 103' ' ' ILE . 53.6 mt -74.35 162.83 28.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.59 -1.319 . . . . 0.0 109.709 169.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.538 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 18.8 mtmm -133.05 156.29 47.65 Favored 'General case' 0 CA--C 1.492 -1.268 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 -164.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -63.19 -23.81 67.6 Favored 'General case' 0 C--N 1.316 -0.85 0 O-C-N 123.49 0.494 . . . . 0.0 110.107 -174.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.7 m -72.82 -21.54 60.95 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.411 HD11 ' O ' ' A' ' 55' ' ' SER . 47.9 mm -122.23 -34.63 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.132 0 C-N-CA 124.614 1.166 . . . . 0.0 109.992 -168.649 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.3 t -60.62 -44.31 96.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.5 ptt180 -55.87 -38.71 70.51 Favored 'General case' 0 C--O 1.213 -0.839 0 C-N-CA 123.745 0.818 . . . . 0.0 111.934 170.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.95 -47.6 84.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 -172.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -64.99 -34.29 78.08 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.23 175.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -64.58 -51.13 64.34 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 120.398 1.454 . . . . 0.0 111.1 177.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.4 mt -47.62 -52.45 17.93 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 128.029 2.532 . . . . 0.0 110.337 177.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -88.53 13.05 12.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.935 0.894 . . . . 0.0 112.677 -176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 49.95 34.88 8.57 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 126.142 1.777 . . . . 0.0 112.333 -176.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.767 HD11 HD13 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -77.23 -37.22 53.73 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 124.377 1.071 . . . . 0.0 111.26 168.862 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -59.94 -30.52 69.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 121.717 -0.614 . . . . 0.0 111.492 -177.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.428 ' HG3' HG23 ' A' ' 100' ' ' ILE . 8.7 ptmt -74.23 -5.18 40.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 114.139 176.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.428 HG23 ' HG3' ' A' ' 99' ' ' LYS . 23.5 pt -135.34 8.29 1.04 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.774 0 C-N-CA 125.427 1.491 . . . . 0.0 111.34 -172.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.698 ' CZ ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-85 -124.54 -168.63 1.84 Allowed 'General case' 0 C--O 1.239 0.515 0 C-N-CA 129.789 3.236 . . . . 0.0 107.444 178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -132.8 145.12 50.72 Favored 'General case' 0 CA--C 1.508 -0.657 0 O-C-N 121.61 -0.682 . . . . 0.0 109.818 160.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 84' ' ' LEU . 4.3 mp -127.77 128.45 69.37 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.148 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 5.6 p -126.19 178.69 5.65 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.825 2.45 . . . . 0.0 108.688 170.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.78 -76.5 0.57 Allowed 'General case' 0 N--CA 1.435 -1.216 0 N-CA-C 102.11 -3.293 . . . . 0.0 102.11 -171.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 22.6 p -94.37 143.99 25.93 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 108.09 -1.078 . . . . 0.0 108.09 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.463 HG11 HG23 ' A' ' 16' ' ' ILE . 7.0 t -57.51 -26.61 27.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 124.486 1.115 . . . . 0.0 110.542 176.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.46 -39.96 89.47 Favored 'General case' 0 CA--C 1.535 0.377 0 O-C-N 121.576 -0.702 . . . . 0.0 112.716 169.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -77.38 -15.59 59.3 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.276 1.43 . . . . 0.0 113.072 -172.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.951 0 C-N-CA 126.183 1.793 . . . . 0.0 108.845 173.992 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.9 mtt . . . . . 0 N--CA 1.465 0.306 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -96.9 145.22 26.09 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 105.396 -2.076 . . . . 0.0 105.396 140.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -151.33 38.98 0.65 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 119.887 1.221 . . . . 0.0 112.003 169.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD11 ' CG ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 69.72 138.19 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.255 1.822 . . . . 0.0 110.668 179.302 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -178.65 -175.51 0.43 Allowed 'General case' 0 CA--C 1.506 -0.715 0 C-N-CA 127.225 2.21 . . . . 0.0 111.213 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.821 ' H ' HD12 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -91.67 -175.26 4.12 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 167.301 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.71 -45.37 2.17 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 120.932 -1.105 . . . . 0.0 111.21 167.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.1 mt 63.15 126.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 C-N-CA 130.273 3.429 . . . . 0.0 113.041 -178.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 96.6 t -135.54 91.37 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 C-N-CA 127.694 2.398 . . . . 0.0 105.709 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -67.8 109.83 3.54 Favored 'General case' 0 N--CA 1.451 -0.42 0 O-C-N 120.332 -1.48 . . . . 0.0 108.161 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.99 -153.95 0.2 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.628 1.171 . . . . 0.0 109.482 -177.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -82.89 -34.82 26.59 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 121.462 -0.774 . . . . 0.0 111.873 -168.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.415 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 1.7 t0 -144.95 7.29 1.2 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.681 0.792 . . . . 0.0 111.052 170.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 46' ' ' LYS . 14.1 ptmt -132.61 146.38 51.85 Favored 'General case' 0 N--CA 1.462 0.162 0 O-C-N 120.4 -1.437 . . . . 0.0 109.654 -173.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.82 110.9 22.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 118.873 0.76 . . . . 0.0 108.981 179.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.536 HG23 HG11 ' A' ' 107' ' ' VAL . 69.2 mt -81.7 84.02 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.579 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 176.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 t -81.65 88.38 1.8 Allowed 'Isoleucine or valine' 0 CA--C 1.516 -0.327 0 O-C-N 119.93 -1.731 . . . . 0.0 107.241 174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.544 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 16.1 mtp180 -71.31 133.16 45.83 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 174.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.478 ' CG2' HD12 ' A' ' 49' ' ' LEU . 61.2 t -104.64 144.57 14.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 -175.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -131.78 128.63 39.21 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 125.36 1.464 . . . . 0.0 108.695 -170.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.49 146.54 12.57 Favored Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.599 ' HA ' HG13 ' A' ' 54' ' ' VAL . 9.6 p-10 -71.94 156.35 39.36 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 126.356 1.862 . . . . 0.0 112.063 176.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.507 HG13 HD22 ' A' ' 27' ' ' ASN . 8.9 tt -117.05 120.55 65.4 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 CA-C-O 121.718 0.77 . . . . 0.0 111.126 -151.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.0 p30 -147.78 -175.46 4.88 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.908 1.283 . . . . 0.0 110.966 -164.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.26 -2.99 4.93 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 126.358 1.863 . . . . 0.0 115.024 178.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -95.96 -36.82 10.92 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 120.435 1.471 . . . . 0.0 109.082 167.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.507 HD22 HG13 ' A' ' 23' ' ' ILE . 60.9 t30 -76.46 -15.58 59.87 Favored 'General case' 0 C--N 1.343 0.322 0 C-N-CA 124.475 1.11 . . . . 0.0 109.155 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.433 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 89.0 p -63.05 -9.58 10.86 Favored 'General case' 0 N--CA 1.428 -1.549 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.6 p -120.38 -25.96 5.52 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 117.045 -1.455 . . . . 0.0 111.696 167.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.18 -73.74 0.12 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 120.226 1.375 . . . . 0.0 109.204 175.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 55.9 tp -55.77 -33.23 64.16 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 121.883 2.129 . . . . 0.0 111.969 -177.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.493 ' HB2' HG23 ' A' ' 64' ' ' THR . 32.6 ttmt -57.62 -56.16 25.47 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 118.116 -0.945 . . . . 0.0 109.306 172.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -64.76 -44.19 90.86 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 -174.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.762 ' HB3' HD11 ' A' ' 6' ' ' LEU . 54.0 mm-40 -64.39 -30.81 71.85 Favored 'General case' 0 N--CA 1.443 -0.783 0 C-N-CA 124.153 0.981 . . . . 0.0 108.698 -170.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 44.9 mt -86.82 -42.63 13.11 Favored 'General case' 0 C--O 1.21 -1.011 0 CA-C-O 114.659 -2.591 . . . . 0.0 112.362 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -56.39 -36.93 69.43 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 123.926 3.057 . . . . 0.0 110.259 173.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -75.43 -41.62 55.46 Favored 'General case' 0 N--CA 1.445 -0.704 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -178.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -70.24 -43.33 70.81 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 118.794 -0.622 . . . . 0.0 110.601 -178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 5.8 mt -53.51 -24.05 8.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 119.667 1.122 . . . . 0.0 112.732 172.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -41.15 27.46 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 120.231 1.378 . . . . 0.0 109.827 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -54.29 -51.32 64.98 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 119.266 0.939 . . . . 0.0 110.519 166.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.412 HG21 HD11 ' A' ' 47' ' ' ILE . 1.7 t -53.72 108.96 0.4 Allowed 'General case' 0 N--CA 1.445 -0.692 0 C-N-CA 125.348 1.459 . . . . 0.0 110.676 -155.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.2 m -64.23 -49.17 72.97 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 162.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 13' ' ' ASP . 0.0 OUTLIER -92.05 110.78 22.15 Favored 'General case' 0 CA--C 1.513 -0.475 0 C-N-CA 123.198 0.599 . . . . 0.0 110.372 -157.588 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 77' ' ' LYS . 71.4 mttt -71.94 -26.51 62.31 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 115.582 1.697 . . . . 0.0 115.582 -153.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.447 ' HB3' ' CB ' ' A' ' 14' ' ' LYS . 42.3 tttt -78.45 92.44 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.833 -172.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.412 HD11 HG21 ' A' ' 42' ' ' THR . 10.0 mm -85.4 98.81 6.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.205 0 N-CA-C 107.483 -1.303 . . . . 0.0 107.483 -169.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.7 t -95.43 129.15 45.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 C-N-CA 125.772 1.629 . . . . 0.0 108.862 -177.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.478 HD12 ' CG2' ' A' ' 19' ' ' VAL . 4.3 mm? -116.87 100.52 7.83 Favored 'General case' 0 C--O 1.215 -0.721 0 C-N-CA 124.1 0.96 . . . . 0.0 111.257 -172.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.544 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 12.4 t0 -81.81 113.83 20.02 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 126.318 1.847 . . . . 0.0 110.398 -174.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.437 HD22 ' O ' ' A' ' 49' ' ' LEU . 1.1 mm? -100.75 23.49 10.44 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 120.673 1.579 . . . . 0.0 113.709 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.3 p -60.25 -30.69 69.59 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 118.981 0.809 . . . . 0.0 111.134 -177.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.72 -3.4 58.55 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 125.55 1.54 . . . . 0.0 112.449 -176.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.599 HG13 ' HA ' ' A' ' 22' ' ' ASP . 8.0 t -109.67 85.33 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 -162.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.7 m -80.8 -12.31 59.46 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 125.92 1.688 . . . . 0.0 114.646 -166.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -138.55 164.01 30.55 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 127.751 2.42 . . . . 0.0 107.183 -179.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 8.3 ttt -158.59 121.24 3.69 Favored 'General case' 0 C--O 1.238 0.464 0 N-CA-C 108.456 -0.942 . . . . 0.0 108.456 171.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.75 172.2 9.41 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 171.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.9 t -56.88 -18.95 15.06 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.349 1.06 . . . . 0.0 112.198 170.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.78 -31.1 70.75 Favored 'General case' 0 N--CA 1.445 -0.675 0 C-N-CA 123.59 0.756 . . . . 0.0 110.28 176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -66.29 -49.73 55.27 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 124.071 0.843 . . . . 0.0 111.915 -176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.8 -46.12 76.22 Favored 'General case' 0 CA--C 1.519 -0.244 0 O-C-N 121.544 -0.974 . . . . 0.0 109.513 -171.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.3 -14.6 34.31 Favored Glycine 0 CA--C 1.536 1.398 0 CA-C-O 119.099 -0.834 . . . . 0.0 113.792 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.493 HG23 ' HB2' ' A' ' 32' ' ' LYS . 49.4 m -95.27 -22.31 17.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.887 1.275 . . . . 0.0 110.225 177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.86 -41.83 9.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 119.157 0.89 . . . . 0.0 110.607 179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.04 -32.77 55.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 123.553 0.741 . . . . 0.0 111.366 -177.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.76 -33.92 62.76 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 C-N-CA 124.093 0.957 . . . . 0.0 111.839 174.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.42 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 17.3 mm -68.99 -21.5 25.57 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 123.505 0.722 . . . . 0.0 110.499 -176.243 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -48.94 -53.12 21.04 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 119.632 1.106 . . . . 0.0 108.812 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.3 tttp -72.56 -42.56 64.5 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 116.574 -1.679 . . . . 0.0 111.18 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 11.7 m-20 -59.78 -35.56 74.9 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 121.959 2.163 . . . . 0.0 111.371 -175.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.18 -47.87 72.55 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.071 1.349 . . . . 0.0 108.725 173.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -51.42 -37.53 48.96 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 124.035 0.934 . . . . 0.0 111.538 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 11.5 mm -57.65 -41.47 79.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 CA-C-O 118.35 -0.833 . . . . 0.0 109.944 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -93.88 9.72 36.2 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 119.966 1.257 . . . . 0.0 112.695 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.3 43.99 98.65 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 125.709 1.623 . . . . 0.0 111.835 -176.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' HD2' ' HA ' ' A' ' 45' ' ' LYS . 38.6 mmtm -112.86 166.57 11.26 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.577 1.151 . . . . 0.0 110.567 -176.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.19 -172.8 2.91 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.394 1.478 . . . . 0.0 110.533 -177.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -168.58 125.25 1.01 Allowed 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.142 1.377 . . . . 0.0 108.43 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 40.5 mt -144.72 153.6 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.406 0 C-N-CA 127.236 2.214 . . . . 0.0 106.045 178.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 57.7 mt -115.31 153.29 31.23 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 174.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.3 p -143.7 165.69 26.95 Favored 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 124.246 1.018 . . . . 0.0 112.806 -173.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.11 34.48 4.34 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.878 2.071 . . . . 0.0 113.143 173.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.509 HD12 HG23 ' A' ' 103' ' ' ILE . 5.4 mt -68.84 130.74 43.66 Favored 'General case' 0 CA--C 1.514 -0.411 0 O-C-N 121.079 -1.013 . . . . 0.0 109.395 -174.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -63.04 149.09 45.9 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 121.822 0.82 . . . . 0.0 109.458 171.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -71.87 -21.59 61.64 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.679 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.4 t -70.93 -14.38 62.35 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.136 1.774 . . . . 0.0 112.377 171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.75 -38.39 2.06 Favored 'Isoleucine or valine' 0 C--O 1.228 -0.078 0 C-N-CA 126.151 1.781 . . . . 0.0 107.788 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 t -60.33 -43.84 96.03 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 176.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.2 ptm85 -55.4 -40.23 71.15 Favored 'General case' 0 C--O 1.215 -0.72 0 O-C-N 120.824 -1.172 . . . . 0.0 112.41 168.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.07 -50.33 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 -171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.3 mt -58.4 -46.34 86.58 Favored 'General case' 0 C--O 1.221 -0.402 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 177.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.9 tttt -59.44 -49.06 79.27 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 120.899 -1.125 . . . . 0.0 111.568 -177.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.3 mt -56.55 -56.26 23.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 127.767 2.427 . . . . 0.0 109.879 178.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.5 m -77.01 10.35 2.38 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 123.68 0.792 . . . . 0.0 112.286 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 65.55 16.41 10.5 Favored 'General case' 0 C--O 1.218 -0.575 0 C-N-CA 127.406 2.282 . . . . 0.0 113.566 174.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -73.26 -31.67 64.23 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 126.706 2.002 . . . . 0.0 110.918 174.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -36.69 71.9 Favored 'General case' 0 N--CA 1.47 0.57 0 CA-C-N 119.948 1.249 . . . . 0.0 110.491 -175.283 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -3.48 4.01 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 114.675 1.361 . . . . 0.0 114.675 176.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.4 pt -131.99 4.86 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 C-N-CA 125.962 1.705 . . . . 0.0 111.501 -172.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -124.69 -173.5 2.8 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 127.589 2.356 . . . . 0.0 107.868 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.7 ttpt -122.37 140.22 52.93 Favored 'General case' 0 CA--C 1.508 -0.651 0 C-N-CA 123.646 0.778 . . . . 0.0 111.263 161.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.509 HG23 HD12 ' A' ' 84' ' ' LEU . 4.1 mp -127.54 145.85 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 N-CA-C 105.838 -1.912 . . . . 0.0 105.838 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.3 p -135.95 -167.51 2.05 Favored 'General case' 0 C--O 1.236 0.344 0 C-N-CA 124.939 1.295 . . . . 0.0 110.377 169.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -117.88 -45.54 2.67 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 127.643 2.377 . . . . 0.0 107.348 -168.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -119.63 148.12 43.73 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 124.933 1.293 . . . . 0.0 108.872 168.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.536 HG11 HG23 ' A' ' 16' ' ' ILE . 5.1 t -56.68 -27.81 26.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 124.855 1.262 . . . . 0.0 110.175 173.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -55.99 -49.0 74.82 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.439 1.096 . . . . 0.0 110.456 173.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.63 -20.89 63.6 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.798 1.239 . . . . 0.0 111.816 -173.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.971 0 CA-C-O 116.813 -1.565 . . . . 0.0 109.494 -177.447 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 106.026 -1.842 . . . . 0.0 106.026 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -127.42 140.92 51.85 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 1.4 t30 143.73 94.94 0.0 OUTLIER 'General case' 0 C--O 1.236 0.392 0 C-N-CA 131.19 3.796 . . . . 0.0 102.583 -158.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 HD13 ' N ' ' A' ' 5' ' ' LYS . 2.1 tm? -53.53 146.56 12.61 Favored 'General case' 0 CA--C 1.515 -0.387 0 C-N-CA 124.483 1.113 . . . . 0.0 108.687 163.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.539 ' N ' HD13 ' A' ' 4' ' ' LEU . 28.9 mttt 154.52 -171.16 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 130.576 3.55 . . . . 0.0 110.206 176.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.79 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -121.86 164.61 17.23 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 127.062 2.145 . . . . 0.0 109.416 178.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.23 -53.63 2.6 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 124.243 1.017 . . . . 0.0 109.826 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 87.3 mt 67.98 126.13 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 C-N-CA 131.595 3.958 . . . . 0.0 114.518 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.3 t -143.39 100.08 0.69 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.138 2.175 . . . . 0.0 108.217 179.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -71.06 101.53 2.24 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 120.831 -1.168 . . . . 0.0 108.958 172.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -79.77 -157.85 0.15 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 125.034 1.334 . . . . 0.0 108.543 -176.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -66.75 -51.02 60.68 Favored 'General case' 0 CA--C 1.52 -0.187 0 O-C-N 120.666 -1.272 . . . . 0.0 110.882 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -138.13 -3.37 1.78 Allowed 'General case' 0 C--O 1.237 0.398 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -109.97 143.94 39.22 Favored 'General case' 0 CA--C 1.514 -0.427 0 O-C-N 120.535 -1.353 . . . . 0.0 107.41 170.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.97 108.26 20.89 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 106.377 -1.712 . . . . 0.0 106.377 169.107 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 HG22 ' HG2' ' A' ' 18' ' ' ARG . 61.6 mt -77.61 98.45 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -177.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 t -91.19 84.49 2.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 122.719 1.247 . . . . 0.0 107.713 174.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.501 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 5.4 mtm180 -70.31 127.58 33.25 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG2' HD12 ' A' ' 49' ' ' LEU . 77.6 t -90.23 162.68 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 107.419 -1.326 . . . . 0.0 107.419 174.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -129.21 162.09 28.64 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 126.3 1.84 . . . . 0.0 109.748 163.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.515 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 82.59 152.2 10.75 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 124.538 1.066 . . . . 0.0 112.048 170.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -53.76 124.98 16.79 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.558 1.143 . . . . 0.0 109.51 159.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.482 HG23 ' HA ' ' A' ' 57' ' ' MET . 0.6 OUTLIER -75.71 112.95 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.679 0 C-N-CA 125.263 1.425 . . . . 0.0 108.266 -176.153 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.6 p30 -138.95 176.3 8.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 122.33 1.062 . . . . 0.0 112.702 -167.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.24 -21.56 34.95 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.758 1.223 . . . . 0.0 112.706 176.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -35.88 63.27 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.402 1.081 . . . . 0.0 108.209 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.451 HD21 ' CG1' ' A' ' 23' ' ' ILE . 0.3 OUTLIER -84.49 -12.59 53.97 Favored 'General case' 0 CA--C 1.5 -0.979 0 O-C-N 121.732 -0.605 . . . . 0.0 111.137 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.2 t -60.74 -6.69 1.85 Allowed 'General case' 0 CA--C 1.547 0.856 0 O-C-N 124.363 1.039 . . . . 0.0 112.763 -174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -119.83 -33.1 4.08 Favored 'General case' 0 C--N 1.339 0.114 0 O-C-N 120.725 -1.234 . . . . 0.0 112.325 159.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -62.02 -60.53 3.49 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 118.521 0.6 . . . . 0.0 110.477 -175.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.6 tp -54.9 -49.36 71.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 126.298 1.839 . . . . 0.0 111.518 171.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.7 ttpt -51.57 -39.85 58.63 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 118.004 -0.998 . . . . 0.0 111.214 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.94 -53.14 12.04 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 124.843 1.257 . . . . 0.0 110.212 178.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.437 ' CB ' HD11 ' A' ' 6' ' ' LEU . 14.6 mm100 -61.42 0.86 0.25 Allowed 'General case' 0 CA--C 1.528 0.129 0 C-N-CA 127.331 2.253 . . . . 0.0 112.644 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 81.4 mt -120.0 -47.47 2.39 Favored 'General case' 0 N--CA 1.438 -1.038 0 CA-C-O 115.001 -2.428 . . . . 0.0 113.451 168.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -60.02 -41.0 91.25 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 124.568 3.349 . . . . 0.0 111.021 177.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -73.96 -39.86 63.43 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 108.685 -0.858 . . . . 0.0 108.685 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -64.65 -49.61 70.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 125.047 1.339 . . . . 0.0 110.295 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 6.0 mt -53.34 -32.34 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 CA-C-O 118.399 -0.81 . . . . 0.0 112.428 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 25.2 t -62.64 -55.87 23.04 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 173.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.29 -44.91 93.71 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.122 0.569 . . . . 0.0 111.814 -176.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.496 ' O ' ' HE2' ' A' ' 77' ' ' LYS . 8.8 t -57.07 123.99 17.17 Favored 'General case' 0 C--N 1.339 0.145 0 CA-C-N 118.139 0.427 . . . . 0.0 110.173 -151.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -71.64 -20.92 61.9 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 121.921 -0.487 . . . . 0.0 110.466 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -107.37 137.92 44.53 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 119.257 0.935 . . . . 0.0 110.072 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -80.35 -34.76 36.28 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 114.711 -1.131 . . . . 0.0 113.205 -165.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.9 ttmt -87.04 94.82 9.73 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 118.287 0.494 . . . . 0.0 110.425 -169.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 mm -81.98 102.9 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -173.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 48.4 t -104.57 114.76 45.03 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.616 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 19' ' ' VAL . 4.3 mm? -91.02 126.9 36.24 Favored 'General case' 0 C--O 1.2 -1.537 0 CA-C-O 117.099 -1.429 . . . . 0.0 109.124 178.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.501 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 31.0 t0 -100.85 120.08 39.61 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 129.86 3.264 . . . . 0.0 110.117 178.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD12 HG21 ' A' ' 54' ' ' VAL . 2.7 mm? -114.41 19.72 16.0 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.243 1.017 . . . . 0.0 112.808 -172.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 18.1 t -53.67 -38.37 64.09 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.41 0.684 . . . . 0.0 112.384 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.0 m -85.4 0.91 50.75 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.684 1.594 . . . . 0.0 112.791 -176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.547 HG21 HD12 ' A' ' 51' ' ' LEU . 91.2 t -98.34 96.82 5.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.137 0 CA-C-N 119.562 1.074 . . . . 0.0 108.729 -168.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 74.7 m -78.48 -34.88 47.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.043 1.337 . . . . 0.0 113.672 -175.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -136.21 158.71 43.76 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 125.458 1.503 . . . . 0.0 108.21 -177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.482 ' HA ' HG23 ' A' ' 23' ' ' ILE . 4.3 ttt -142.35 122.87 14.08 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.948 1.299 . . . . 0.0 110.012 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -82.77 170.44 15.05 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-O 121.483 0.659 . . . . 0.0 110.494 168.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 94.8 p -51.7 -29.46 18.41 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 125.647 1.579 . . . . 0.0 112.308 166.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.08 -34.58 78.39 Favored 'General case' 0 N--CA 1.445 -0.724 0 N-CA-C 108.467 -0.938 . . . . 0.0 108.467 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.64 -54.08 40.09 Favored Glycine 0 N--CA 1.445 -0.765 0 C-N-CA 127.425 2.441 . . . . 0.0 111.122 -173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -75.21 -38.56 60.65 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 -174.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.54 -16.79 59.11 Favored Glycine 0 CA--C 1.531 1.055 0 CA-C-O 119.046 -0.863 . . . . 0.0 112.827 171.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 97.0 m -90.22 -50.09 6.18 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 105.648 -1.982 . . . . 0.0 105.648 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 22.7 mt -69.9 -33.05 71.68 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.002 -1.061 . . . . 0.0 112.251 -171.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.9 -26.13 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 O-C-N 121.131 -0.981 . . . . 0.0 111.679 178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 93.0 t -69.89 -39.36 77.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 C-N-CA 124.368 1.067 . . . . 0.0 108.476 170.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 43.3 mm -64.31 -37.77 80.8 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 C-N-CA 123.288 0.635 . . . . 0.0 110.453 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 tt -51.83 -44.39 63.55 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 118.385 0.538 . . . . 0.0 110.241 173.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.5 mtmt -67.49 -63.52 1.04 Allowed 'General case' 0 C--O 1.213 -0.866 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.433 177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -39.56 -45.86 1.66 Allowed 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.416 1.886 . . . . 0.0 112.202 179.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.26 -64.09 0.98 Allowed 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 123.976 0.91 . . . . 0.0 109.213 173.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.22 -37.61 64.78 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.729 1.212 . . . . 0.0 113.19 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 96.6 mt -57.76 -41.37 79.45 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.268 0 C-N-CA 125.981 1.713 . . . . 0.0 108.545 177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -87.87 -6.97 57.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.635 1.174 . . . . 0.0 112.022 177.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 87.3 22.73 43.2 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 125.832 1.682 . . . . 0.0 114.699 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.496 ' HE2' ' O ' ' A' ' 42' ' ' THR . 12.2 mttp -108.3 164.42 12.33 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 119.19 1.495 . . . . 0.0 110.933 -175.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -91.59 175.1 7.03 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.475 1.11 . . . . 0.0 110.699 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -158.63 128.17 5.71 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.125 -0.984 . . . . 0.0 110.608 177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 39.9 mt -146.5 153.65 12.83 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 127.833 2.453 . . . . 0.0 106.815 -177.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -117.04 143.48 45.7 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.08 2.152 . . . . 0.0 107.423 175.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.459 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 90.1 p -129.36 158.81 38.1 Favored 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.714 2.006 . . . . 0.0 110.058 -176.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m 55.89 22.84 5.99 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 115.221 1.564 . . . . 0.0 115.221 168.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.621 HD12 HG23 ' A' ' 103' ' ' ILE . 10.4 mt -58.41 129.14 40.62 Favored 'General case' 0 CA--C 1.52 -0.189 0 C-N-CA 125.692 1.597 . . . . 0.0 109.68 177.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 25.3 mttt -64.26 161.8 15.92 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-O 121.665 0.745 . . . . 0.0 109.705 173.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.29 -37.65 88.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 113.625 -1.625 . . . . 0.0 108.83 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -12.41 61.15 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.762 -173.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 35.4 mm -104.99 -39.08 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 N-CA-C 107.482 -1.303 . . . . 0.0 107.482 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.8 t -63.12 -45.53 91.56 Favored 'General case' 0 N--CA 1.443 -0.823 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -57.22 -37.12 71.76 Favored 'General case' 0 C--N 1.344 0.35 0 O-C-N 121.284 -0.885 . . . . 0.0 111.873 173.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.52 -50.8 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 N-CA-C 106.072 -1.825 . . . . 0.0 106.072 -176.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.7 mt -56.19 -52.44 64.38 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 107.828 -1.175 . . . . 0.0 107.828 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.05 -46.13 71.85 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 123.953 0.901 . . . . 0.0 111.311 178.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 26.8 mt -54.15 -56.83 14.39 Favored 'General case' 0 C--N 1.332 -0.173 0 C-N-CA 124.276 1.03 . . . . 0.0 108.736 176.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 p -68.96 9.59 0.38 Allowed 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 116.355 1.983 . . . . 0.0 116.355 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 57.12 19.29 4.67 Favored 'General case' 0 C--O 1.221 -0.401 0 C-N-CA 125.711 1.604 . . . . 0.0 112.366 -176.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -74.18 -29.24 61.67 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 125.132 1.373 . . . . 0.0 110.168 -179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.0 -31.18 71.56 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.498 1.045 . . . . 0.0 111.367 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.411 ' HE2' HG23 ' A' ' 100' ' ' ILE . 11.5 ptmt -72.95 0.22 11.84 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-O 117.785 -1.102 . . . . 0.0 113.402 177.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.411 HG23 ' HE2' ' A' ' 99' ' ' LYS . 17.6 pt -136.45 -5.58 0.84 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 CA-C-N 119.788 1.177 . . . . 0.0 112.163 -172.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -114.28 -170.65 1.76 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.706 2.402 . . . . 0.0 108.665 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -136.09 128.27 29.88 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 121.369 -0.832 . . . . 0.0 108.8 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.621 HG23 HD12 ' A' ' 84' ' ' LEU . 5.0 mp -127.5 117.43 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 107.502 -1.296 . . . . 0.0 107.502 -169.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . 0.25 1.5 p -128.82 174.78 9.17 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 124.832 1.253 . . . . 0.0 108.431 171.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.18 -63.82 1.13 Allowed 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 -164.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 50.9 p -93.42 137.86 32.3 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 106.004 -1.85 . . . . 0.0 106.004 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.1 t -49.67 -28.15 3.62 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 C-N-CA 123.906 0.883 . . . . 0.0 110.072 168.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.2 -51.47 67.94 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 125.493 1.517 . . . . 0.0 113.348 169.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -67.99 -16.86 64.23 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 119.813 1.188 . . . . 0.0 111.996 -174.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.16 0 C-N-CA 124.081 0.952 . . . . 0.0 109.794 -176.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 67.12 -35.31 0.25 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 127.383 2.273 . . . . 0.0 112.435 -170.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 m120 57.25 35.16 25.8 Favored 'General case' 0 C--O 1.233 0.195 0 C-N-CA 128.237 2.615 . . . . 0.0 112.904 157.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.282 0.2 OUTLIER 54.15 104.08 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.633 0 C-N-CA 128.705 2.802 . . . . 0.0 112.611 177.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 55.4 mttt -143.79 150.97 39.35 Favored 'General case' 0 CA--C 1.502 -0.887 0 C-N-CA 124.309 1.043 . . . . 0.0 109.79 172.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.5 OUTLIER -83.29 167.8 17.29 Favored 'General case' 0 N--CA 1.432 -1.358 0 CA-C-N 115.308 -0.86 . . . . 0.0 109.403 164.499 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -115.2 -45.75 2.93 Favored 'General case' 0 N--CA 1.45 -0.457 0 O-C-N 124.163 0.915 . . . . 0.0 111.619 -168.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 6' ' ' LEU . 98.3 mt 64.24 129.13 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 131.302 3.841 . . . . 0.0 114.299 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.4 t -136.85 91.89 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 C-N-CA 128.03 2.532 . . . . 0.0 105.694 177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -69.21 102.35 1.67 Allowed 'General case' 0 N--CA 1.451 -0.395 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.9 -160.24 0.22 Allowed 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 -175.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -66.8 -48.99 67.28 Favored 'General case' 0 CA--C 1.52 -0.188 0 O-C-N 120.87 -1.144 . . . . 0.0 109.594 -173.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -143.53 8.8 1.57 Allowed 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 176.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -114.44 149.85 35.63 Favored 'General case' 0 C--N 1.34 0.177 0 O-C-N 120.101 -1.624 . . . . 0.0 108.21 165.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.444 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -102.81 107.43 18.29 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 174.005 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 64.0 mt -82.48 91.98 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.25 -1.389 . . . . 0.0 107.25 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.498 ' HB ' HD13 ' A' ' 49' ' ' LEU . 36.9 t -84.72 86.27 2.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 120.147 -1.596 . . . . 0.0 107.575 173.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.454 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.6 mtp180 -66.02 127.56 32.59 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.045 -1.465 . . . . 0.0 107.045 167.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.418 ' CG2' HD12 ' A' ' 49' ' ' LEU . 11.8 t -99.37 145.49 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -129.25 150.36 50.66 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 123.23 0.612 . . . . 0.0 109.494 170.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 96.25 164.77 33.59 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -77.15 145.38 37.75 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 124.604 1.162 . . . . 0.0 107.916 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.409 HG23 ' HG3' ' A' ' 57' ' ' MET . 1.2 tp -91.73 77.55 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-O 122.833 1.301 . . . . 0.0 108.55 -172.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -109.46 -177.27 3.24 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.939 1.296 . . . . 0.0 112.981 -174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.2 -9.8 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.115 2.166 . . . . 0.0 114.804 167.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -86.01 -32.97 21.19 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 120.693 1.588 . . . . 0.0 109.068 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -75.51 -19.38 59.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 177.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.4 t -44.68 -27.5 0.5 Allowed 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 125.576 1.798 . . . . 0.0 113.018 -176.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 p -120.87 -31.72 4.14 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 117.678 -1.153 . . . . 0.0 112.793 162.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -58.62 -67.19 0.38 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 119.373 0.988 . . . . 0.0 110.651 -169.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.589 HD21 HD12 ' A' ' 35' ' ' LEU . 8.5 tt -54.74 -46.33 74.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 C-N-CA 125.785 1.634 . . . . 0.0 109.307 177.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -50.89 -48.59 60.4 Favored 'General case' 0 N--CA 1.447 -0.608 0 O-C-N 123.995 0.809 . . . . 0.0 109.346 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -59.94 -50.77 72.45 Favored 'General case' 0 C--O 1.233 0.222 0 C-N-CA 125.251 1.42 . . . . 0.0 111.215 173.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 6' ' ' LEU . 4.1 mt-30 -61.02 -11.17 7.35 Favored 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 123.855 0.862 . . . . 0.0 112.999 -177.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.589 HD12 HD21 ' A' ' 31' ' ' LEU . 37.3 mt -114.14 -40.63 3.66 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 115.211 -2.328 . . . . 0.0 113.165 176.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -55.72 -44.63 77.66 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 124.162 3.165 . . . . 0.0 109.42 170.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 50.1 t-20 -74.03 -36.22 64.41 Favored 'General case' 0 N--CA 1.448 -0.541 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 -174.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -73.33 -48.14 36.78 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 118.131 -0.938 . . . . 0.0 110.264 179.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.47 ' HA ' HG22 ' A' ' 42' ' ' THR . 21.2 mt -56.34 -32.64 35.99 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-N 120.656 1.571 . . . . 0.0 112.212 174.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.8 t -74.36 -14.21 60.85 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 124.771 1.228 . . . . 0.0 111.921 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 71.2 m -97.07 -47.15 5.9 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 126.413 1.885 . . . . 0.0 110.957 173.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.47 HG22 ' HA ' ' A' ' 39' ' ' ILE . 12.2 t -63.38 142.01 58.55 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 122.586 1.184 . . . . 0.0 112.382 -147.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.03 -3.45 58.9 Favored 'General case' 0 N--CA 1.44 -0.954 0 C-N-CA 127.02 2.128 . . . . 0.0 112.58 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 50.4 mmtt -117.81 145.31 44.64 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 119.924 1.238 . . . . 0.0 109.522 -177.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -86.24 -36.58 19.32 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-O 117.291 -1.338 . . . . 0.0 112.968 179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.03 93.44 2.25 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 121.546 1.976 . . . . 0.0 111.435 178.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 9.3 mm -81.47 103.41 8.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 122.053 2.206 . . . . 0.0 105.445 174.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 33.9 t -101.02 133.67 43.55 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.063 0 N-CA-C 105.77 -1.937 . . . . 0.0 105.77 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.2 mm? -105.66 146.87 29.15 Favored 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 177.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.454 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 11.1 t0 -125.76 115.23 19.73 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 125.177 1.391 . . . . 0.0 110.157 177.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.41 20.89 15.7 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.398 1.079 . . . . 0.0 111.731 -163.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.02 -28.32 62.39 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.358 1.063 . . . . 0.0 113.063 178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.8 m -84.03 -12.11 55.69 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.095 0.958 . . . . 0.0 112.753 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 69.1 t -86.21 105.0 14.24 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.58 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 -173.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -95.31 -19.65 19.8 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 124.242 1.017 . . . . 0.0 112.32 175.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -137.63 150.27 47.26 Favored 'General case' 0 C--O 1.233 0.226 0 C-N-CA 125.808 1.643 . . . . 0.0 109.466 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.409 ' HG3' HG23 ' A' ' 23' ' ' ILE . 10.7 ttt -139.78 140.61 36.72 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 126.359 1.864 . . . . 0.0 108.399 172.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 59' ' ' SER . 31.5 t70 -117.43 -179.83 3.84 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.516 1.127 . . . . 0.0 109.132 168.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.434 ' H ' ' CG ' ' A' ' 58' ' ' ASP . 51.1 m -71.53 -12.13 61.22 Favored 'General case' 0 C--O 1.239 0.512 0 C-N-CA 126.356 1.862 . . . . 0.0 113.661 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.48 -52.75 42.74 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -24.47 -66.57 0.04 OUTLIER Glycine 0 C--O 1.225 -0.448 0 C-N-CA 130.282 3.801 . . . . 0.0 112.812 177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -70.49 -39.82 73.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 124.185 0.994 . . . . 0.0 111.648 -171.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.27 -13.83 63.09 Favored Glycine 0 CA--C 1.534 1.219 0 C-N-CA 124.8 1.19 . . . . 0.0 113.085 169.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 18.3 m -101.82 -7.75 22.25 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.341 1.456 . . . . 0.0 108.835 -178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.1 mt -107.74 -42.86 4.62 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.418 1.087 . . . . 0.0 111.095 173.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -58.36 -34.04 49.3 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 CA-C-N 120.246 1.385 . . . . 0.0 110.77 177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 5.1 p -60.61 -35.19 61.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 C-N-CA 123.775 0.83 . . . . 0.0 110.636 174.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 42.8 mm -74.07 -23.86 18.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 124.532 1.133 . . . . 0.0 110.698 -179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.0 -49.35 77.13 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 120.671 1.578 . . . . 0.0 108.25 170.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -58.26 -64.09 1.04 Allowed 'General case' 0 CA--C 1.512 -0.483 0 CA-C-O 117.306 -1.331 . . . . 0.0 108.496 176.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.3 -38.69 28.32 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 119.834 1.197 . . . . 0.0 113.436 -175.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.72 -55.37 20.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.692 1.197 . . . . 0.0 110.422 172.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -35.73 54.17 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.95 1.3 . . . . 0.0 111.603 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 60.6 mt -56.28 -56.31 14.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-N 119.781 1.173 . . . . 0.0 107.983 176.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -85.64 5.92 29.75 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.69 0.757 . . . . 0.0 111.631 -175.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 64.69 45.71 92.02 Favored Glycine 0 N--CA 1.441 -1.031 0 C-N-CA 125.872 1.701 . . . . 0.0 111.603 176.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 63.4 mmtt -101.3 156.53 17.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.836 0.854 . . . . 0.0 109.353 171.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -83.42 176.31 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-O 121.788 0.804 . . . . 0.0 109.017 163.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.402 ' CZ ' HD21 ' A' ' 81' ' ' LEU . 4.5 t80 -150.69 129.74 12.62 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 127.615 2.366 . . . . 0.0 105.86 -179.583 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.428 HG23 ' HG2' ' A' ' 102' ' ' LYS . 40.3 mt -146.94 150.3 14.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 106.954 -1.498 . . . . 0.0 106.954 -179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.402 HD21 ' CZ ' ' A' ' 79' ' ' PHE . 79.8 mt -120.35 124.23 45.03 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.784 1.234 . . . . 0.0 109.388 179.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.66 161.09 28.04 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 124.191 0.996 . . . . 0.0 111.179 -177.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 5.4 t 53.9 29.75 10.42 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.765 1.626 . . . . 0.0 114.132 -174.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.3 122.53 16.4 Favored 'General case' 0 C--O 1.236 0.366 0 O-C-N 120.159 -1.588 . . . . 0.0 109.153 174.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.9 mttt -61.28 157.24 16.84 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-O 121.702 0.763 . . . . 0.0 109.444 175.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -60.61 -35.09 75.29 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 113.767 -1.56 . . . . 0.0 109.391 -178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.0 m -71.34 -10.58 60.0 Favored 'General case' 0 C--O 1.223 -0.307 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 37.5 mm -115.57 -41.42 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.587 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 -172.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.86 -42.71 99.86 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.919 -0.488 . . . . 0.0 109.738 175.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -57.66 -37.62 73.71 Favored 'General case' 0 C--O 1.219 -0.507 0 O-C-N 121.149 -0.969 . . . . 0.0 111.953 170.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -66.06 -47.03 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 107.524 -1.288 . . . . 0.0 107.524 -175.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 27.2 mt -59.26 -49.82 76.36 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.236 -1.394 . . . . 0.0 107.236 176.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -59.23 -43.6 92.35 Favored 'General case' 0 N--CA 1.45 -0.475 0 O-C-N 120.179 -1.575 . . . . 0.0 112.099 -178.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 20.6 mt -53.52 -60.66 3.02 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.847 1.659 . . . . 0.0 108.309 174.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.97 18.82 0.08 Allowed 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.543 1.537 . . . . 0.0 114.144 -178.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 46.25 38.82 5.44 Favored 'General case' 0 C--O 1.222 -0.393 0 C-N-CA 127.231 2.212 . . . . 0.0 113.114 -175.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.3 OUTLIER -100.49 -24.21 14.53 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 127.089 2.156 . . . . 0.0 109.906 -174.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.0 -49.55 67.37 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 119.248 0.931 . . . . 0.0 109.608 177.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.49 3.31 0.21 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 128.49 2.716 . . . . 0.0 116.566 -178.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.4 pt -140.24 8.22 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 C-N-CA 125.227 1.411 . . . . 0.0 110.546 -173.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 4.0 m-85 -132.38 -169.88 2.32 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 130.783 3.633 . . . . 0.0 109.451 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.428 ' HG2' HG23 ' A' ' 80' ' ' ILE . 27.0 tttt -127.94 134.82 49.35 Favored 'General case' 0 CA--C 1.511 -0.557 0 C-N-CA 124.67 1.188 . . . . 0.0 110.169 173.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.04 130.3 66.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.616 0 O-C-N 125.533 1.771 . . . . 0.0 109.085 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.9 p -137.01 -179.59 5.8 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 126.033 1.733 . . . . 0.0 110.543 171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.53 -49.23 6.0 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 120.921 -1.112 . . . . 0.0 109.366 -169.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 78.0 p -123.82 159.27 29.94 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 -174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.8 m -65.84 -19.46 25.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 121.552 -0.717 . . . . 0.0 111.272 171.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -66.59 -48.02 70.89 Favored 'General case' 0 N--CA 1.448 -0.57 0 C-N-CA 124.025 0.93 . . . . 0.0 110.621 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.92 -18.1 64.06 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 124.198 0.999 . . . . 0.0 111.917 -171.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.117 0 C-N-CA 126.16 1.784 . . . . 0.0 110.323 -178.073 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 ttm . . . . . 0 N--CA 1.472 0.652 0 CA-C-O 119.16 -0.447 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -157.39 160.18 38.15 Favored 'General case' 0 C--O 1.232 0.142 0 C-N-CA 124.269 1.028 . . . . 0.0 108.335 162.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 48.3 t30 -127.01 74.62 1.51 Allowed 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 105.026 -2.213 . . . . 0.0 105.026 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.428 HD11 ' HB3' ' A' ' 27' ' ' ASN . 5.5 tp -61.21 121.03 11.53 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 170.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.7 mttp 169.07 176.26 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 130.012 3.325 . . . . 0.0 106.331 -175.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.744 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -113.11 152.64 29.36 Favored 'General case' 0 N--CA 1.438 -1.067 0 C-N-CA 125.299 1.44 . . . . 0.0 108.169 176.317 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.06 -47.31 3.87 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.087 0.867 . . . . 0.0 110.478 -164.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 78.6 mt 68.44 125.28 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 128.764 2.826 . . . . 0.0 113.539 166.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.4 t -147.21 79.11 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 C-N-CA 128.531 2.733 . . . . 0.0 106.844 -175.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 15' ' ' ALA . 74.4 mt-10 -64.89 120.84 13.29 Favored 'General case' 0 N--CA 1.456 -0.173 0 O-C-N 120.022 -1.674 . . . . 0.0 109.704 170.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -95.22 -145.58 0.27 Allowed 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 126.706 2.003 . . . . 0.0 109.627 -173.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.67 -73.88 0.09 Allowed 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.699 1.2 . . . . 0.0 110.351 168.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.37 -16.45 13.71 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.704 1.202 . . . . 0.0 111.347 -168.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.423 ' HE2' ' HE3' ' A' ' 46' ' ' LYS . 18.7 ptpt -112.87 126.96 56.02 Favored 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.399 1.48 . . . . 0.0 108.12 -168.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . . . -80.46 98.91 7.75 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 105.768 -1.938 . . . . 0.0 105.768 166.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 31.4 mt -74.16 122.2 26.91 Favored 'Isoleucine or valine' 0 C--N 1.344 0.356 0 N-CA-C 105.409 -2.071 . . . . 0.0 105.409 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 82.6 t -108.75 95.22 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 123.654 1.692 . . . . 0.0 109.148 168.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.58 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 7.2 mtt-85 -59.94 119.82 8.47 Favored 'General case' 0 N--CA 1.433 -1.289 0 CA-C-N 114.101 -1.409 . . . . 0.0 108.908 162.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 t -96.44 147.07 6.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 8.8 mt-30 -126.07 155.53 41.41 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.688 1.195 . . . . 0.0 110.738 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.569 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 81.58 161.97 28.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 125.585 1.564 . . . . 0.0 110.951 -176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -71.52 153.56 42.1 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 124.894 1.277 . . . . 0.0 108.743 171.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.406 HG23 ' HG3' ' A' ' 57' ' ' MET . 0.9 OUTLIER -113.73 93.73 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.645 0 C-N-CA 125.34 1.456 . . . . 0.0 111.414 -158.259 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.9 p30 -144.29 -166.81 2.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.502 1.121 . . . . 0.0 112.763 -171.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -46.99 -22.3 0.31 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.756 1.622 . . . . 0.0 114.759 175.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -74.4 -38.13 63.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 119.932 1.242 . . . . 0.0 109.011 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.428 ' HB3' HD11 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -91.39 -12.36 35.07 Favored 'General case' 0 C--N 1.344 0.327 0 O-C-N 121.938 -0.476 . . . . 0.0 110.038 178.882 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.7 t -57.34 -12.8 2.71 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 99.6 p -113.48 -38.25 4.41 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-O 117.169 -1.396 . . . . 0.0 112.27 156.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -54.98 -69.99 0.12 Allowed 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 123.978 0.911 . . . . 0.0 110.537 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.7 tp -51.34 -47.0 62.85 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 124.035 0.934 . . . . 0.0 110.107 175.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.2 ttpp -49.65 -50.11 44.53 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 122.736 0.414 . . . . 0.0 110.846 -178.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -67.64 -48.86 65.51 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.216 1.806 . . . . 0.0 111.171 178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.489 ' CB ' HD11 ' A' ' 6' ' ' LEU . 1.6 mm-40 -64.74 -4.3 4.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 127.22 2.208 . . . . 0.0 112.996 -178.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.7 mt -114.9 -42.75 3.18 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-O 116.215 -1.85 . . . . 0.0 111.407 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.5 ptm85 -69.95 -40.89 75.19 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 121.396 1.907 . . . . 0.0 110.712 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.4 t-20 -67.65 -38.36 83.71 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 176.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -71.08 -37.3 72.43 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.034 177.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -61.76 -33.12 56.19 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-N 120.158 1.344 . . . . 0.0 112.985 175.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 13.0 t -59.9 -49.95 75.67 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 170.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.0 m -71.17 -40.05 71.52 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 123.76 0.824 . . . . 0.0 113.109 -176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.2 t -59.14 136.31 57.91 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -156.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 t -83.96 -9.79 58.42 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.76 2.424 . . . . 0.0 112.656 -174.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -120.88 166.74 13.36 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 -172.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -100.08 -41.72 7.03 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 117.237 -1.363 . . . . 0.0 111.636 176.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.423 ' HE3' ' HE2' ' A' ' 14' ' ' LYS 0.258 13.1 ttpt -79.79 96.89 6.42 Favored 'General case' 0 C--O 1.218 -0.557 0 CA-C-N 119.947 1.249 . . . . 0.0 110.294 -169.43 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.2 mm -88.83 104.76 15.15 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 -173.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.3 t -111.74 99.59 9.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 125.654 1.581 . . . . 0.0 109.701 -162.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -91.13 111.09 22.42 Favored 'General case' 0 C--O 1.211 -0.925 0 C-N-CA 123.988 0.915 . . . . 0.0 111.885 -170.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 18.0 t70 -91.44 138.69 31.38 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 126.808 2.043 . . . . 0.0 112.797 -177.143 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.59 HD12 HG21 ' A' ' 54' ' ' VAL . 3.0 mm? -123.33 20.19 9.7 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -177.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.8 -24.09 61.33 Favored 'General case' 0 N--CA 1.464 0.265 0 O-C-N 120.695 -1.253 . . . . 0.0 112.292 176.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 58.6 m -72.9 -44.41 61.31 Favored 'General case' 0 N--CA 1.448 -0.552 0 O-C-N 120.398 -1.439 . . . . 0.0 112.009 170.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.59 HG21 HD12 ' A' ' 51' ' ' LEU . 59.9 t -82.18 120.75 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.762 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 -154.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 69.1 m -125.19 -10.42 7.03 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -168.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -130.72 150.95 51.67 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 125.373 1.469 . . . . 0.0 107.934 163.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.406 ' HG3' HG23 ' A' ' 23' ' ' ILE . 4.2 ttt -142.59 130.62 21.86 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.306 1.842 . . . . 0.0 106.789 177.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -101.28 170.05 8.5 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 163.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.9 m -61.19 -8.97 4.06 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.947 -1.095 . . . . 0.0 112.847 174.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.68 77.04 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 172.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -55.19 -54.82 31.61 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 125.715 1.626 . . . . 0.0 112.08 177.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -72.09 -38.45 69.37 Favored 'General case' 0 C--N 1.312 -1.056 0 O-C-N 119.209 -2.348 . . . . 0.0 109.371 -178.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.97 -6.31 12.15 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.505 1.526 . . . . 0.0 113.418 170.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 61.3 m -86.9 -65.45 1.01 Allowed 'General case' 0 N--CA 1.444 -0.761 0 N-CA-C 104.372 -2.455 . . . . 0.0 104.372 167.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.39 -42.04 98.09 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 118.511 0.596 . . . . 0.0 111.438 -164.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.8 p -52.62 -29.01 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 N-CA-C 114.176 1.176 . . . . 0.0 114.176 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -73.12 -39.62 57.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 CA-C-O 121.661 0.743 . . . . 0.0 111.197 175.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 20.9 mm -68.9 -27.59 36.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 125.608 1.563 . . . . 0.0 109.687 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.4 tt -51.56 -47.75 63.33 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.082 0.953 . . . . 0.0 109.481 173.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.4 ttpt -58.51 -60.58 3.58 Favored 'General case' 0 C--O 1.224 -0.245 0 CA-C-O 117.211 -1.376 . . . . 0.0 110.417 168.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -49.08 -39.08 26.44 Favored 'General case' 0 CA--C 1.536 0.412 0 CA-C-N 119.737 1.153 . . . . 0.0 111.947 -171.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.75 -60.01 4.47 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 126.987 2.115 . . . . 0.0 109.898 173.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -48.1 -41.54 26.6 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.5 1.12 . . . . 0.0 111.854 174.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mt -60.94 -39.56 82.51 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 119.868 1.213 . . . . 0.0 110.338 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -99.56 15.94 24.94 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 118.903 0.774 . . . . 0.0 112.163 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.98 31.6 81.38 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 125.935 1.731 . . . . 0.0 112.953 175.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -98.53 163.03 12.84 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 118.162 0.981 . . . . 0.0 110.196 -175.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.66 178.13 6.01 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.923 1.689 . . . . 0.0 109.312 176.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -160.09 125.3 3.97 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.544 1.137 . . . . 0.0 110.294 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.409 ' HA ' ' HB3' ' A' ' 102' ' ' LYS . 70.7 mt -140.3 149.04 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 106.469 -1.678 . . . . 0.0 106.469 176.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.429 HD21 ' CD2' ' A' ' 101' ' ' PHE . 2.2 mm? -103.83 149.46 25.03 Favored 'General case' 0 C--N 1.345 0.41 0 CA-C-N 120.145 1.339 . . . . 0.0 109.165 157.39 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.67 169.52 17.5 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.592 0.757 . . . . 0.0 111.584 173.087 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 m 52.7 30.18 8.44 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -179.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.33 160.36 16.12 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.211 -0.931 . . . . 0.0 108.76 171.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -109.42 158.24 18.14 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 123.507 0.723 . . . . 0.0 110.297 -175.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.76 -15.89 63.86 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.351 0.596 . . . . 0.0 112.206 -175.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 9.6 m -85.45 -10.44 56.14 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.539 1.135 . . . . 0.0 112.689 173.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 40.2 mm -121.74 -37.43 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 C-N-CA 125.85 1.66 . . . . 0.0 109.177 -168.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -55.28 -50.19 70.18 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 122.823 1.297 . . . . 0.0 108.978 177.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.5 ptm85 -54.07 -38.23 65.06 Favored 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 125.765 1.626 . . . . 0.0 111.576 172.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 2.4 mt -70.17 -50.3 48.33 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 -171.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.9 mt -53.87 -48.18 70.3 Favored 'General case' 0 C--O 1.224 -0.246 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 174.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.79 -48.34 82.23 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.894 -1.129 . . . . 0.0 110.956 -177.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 30.1 mt -51.98 -44.97 64.29 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 126.794 2.038 . . . . 0.0 110.035 177.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.7 m -87.35 5.74 37.09 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 -177.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 63.8 27.85 14.67 Favored 'General case' 0 C--O 1.225 -0.205 0 C-N-CA 127.37 2.268 . . . . 0.0 113.986 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -84.51 -38.46 20.04 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 125.605 1.562 . . . . 0.0 110.719 175.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.89 -21.86 65.99 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.999 -1.063 . . . . 0.0 111.664 -171.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.492 ' HE2' HG23 ' A' ' 100' ' ' ILE . 12.6 ptmt -74.52 -20.01 60.13 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.43 1.092 . . . . 0.0 112.723 174.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.492 HG23 ' HE2' ' A' ' 99' ' ' LYS . 18.5 pt -118.44 -37.8 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 119.83 1.195 . . . . 0.0 110.401 -166.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CD2' HD21 ' A' ' 81' ' ' LEU . 4.2 m-30 -72.0 -174.96 1.33 Allowed 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 125.572 1.549 . . . . 0.0 110.114 163.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.409 ' HB3' ' HA ' ' A' ' 80' ' ' ILE . 0.5 OUTLIER -119.42 153.35 35.36 Favored 'General case' 0 CA--C 1.493 -1.212 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 4.7 mp -137.33 134.29 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.494 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 165.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 39.1 p -124.65 -172.67 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 125.721 1.609 . . . . 0.0 107.375 156.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.05 -33.07 5.18 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 124.233 1.013 . . . . 0.0 110.549 -164.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 72.6 p -128.18 144.95 51.16 Favored 'General case' 0 N--CA 1.434 -1.265 0 N-CA-C 105.688 -1.967 . . . . 0.0 105.688 173.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 34.1 m -57.36 -21.66 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.639 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.397 167.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.7 -49.8 76.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 127.089 2.156 . . . . 0.0 112.155 169.352 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -70.7 -27.02 63.68 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 120.396 1.453 . . . . 0.0 112.2 -174.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.551 1.541 . . . . 0.0 110.959 -172.528 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.467 0.378 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -150.21 161.46 42.37 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.496 1.919 . . . . 0.0 108.936 172.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -170.0 54.22 0.04 OUTLIER 'General case' 0 CA--C 1.562 1.434 0 C-N-CA 123.752 0.821 . . . . 0.0 109.256 -179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 27' ' ' ASN . 1.7 tm? 54.31 146.31 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.19 0 C-N-CA 130.156 3.382 . . . . 0.0 114.385 -165.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -166.99 177.71 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 125.484 1.514 . . . . 0.0 111.329 179.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.522 ' CD2' HG12 ' A' ' 17' ' ' VAL . 10.8 mt -120.19 165.08 15.27 Favored 'General case' 0 N--CA 1.436 -1.131 0 C-N-CA 127.736 2.414 . . . . 0.0 109.144 168.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.36 -45.92 2.51 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 124.774 1.23 . . . . 0.0 112.637 -177.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 65.4 mt 57.98 133.46 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 130.44 3.496 . . . . 0.0 115.196 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.1 t -140.34 86.95 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 127.143 2.177 . . . . 0.0 108.641 178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -67.35 120.07 13.24 Favored 'General case' 0 C--O 1.234 0.281 0 O-C-N 120.054 -1.654 . . . . 0.0 108.159 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -145.55 0.13 Allowed 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 124.819 1.247 . . . . 0.0 109.767 -177.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -67.29 -61.99 1.64 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 125.661 1.584 . . . . 0.0 110.095 166.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -136.68 -7.79 1.9 Allowed 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.28 1.432 . . . . 0.0 111.438 -167.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -110.43 140.45 44.65 Favored 'General case' 0 C--N 1.342 0.262 0 C-N-CA 125.886 1.674 . . . . 0.0 107.119 174.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.694 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -104.25 105.43 15.58 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 106.457 -1.683 . . . . 0.0 106.457 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.64 126.34 35.28 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 N-CA-C 105.545 -2.02 . . . . 0.0 105.545 175.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.522 HG12 ' CD2' ' A' ' 6' ' ' LEU . 38.5 t -114.16 86.3 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.764 1.226 . . . . 0.0 109.126 173.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 35.0 mtt-85 -78.53 123.98 27.66 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.003 -0.74 . . . . 0.0 109.003 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 t -87.05 151.6 3.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 C-N-CA 124.177 0.991 . . . . 0.0 110.298 174.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -127.17 134.73 50.12 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 114.993 -1.003 . . . . 0.0 111.902 166.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 103.31 159.39 25.12 Favored Glycine 0 N--CA 1.444 -0.794 0 N-CA-C 108.649 -1.781 . . . . 0.0 108.649 178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -59.77 149.01 32.25 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 121.593 0.711 . . . . 0.0 109.832 156.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.407 HG22 ' CG1' ' A' ' 54' ' ' VAL . 13.4 tt -104.06 140.23 22.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 127.413 2.285 . . . . 0.0 106.996 -174.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 p30 -175.72 -175.89 0.81 Allowed 'General case' 0 C--N 1.328 -0.356 0 O-C-N 120.775 -1.203 . . . . 0.0 112.443 -169.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.97 -25.82 58.8 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 117.888 -1.054 . . . . 0.0 111.916 -177.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -63.47 -28.11 69.74 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 120.249 1.386 . . . . 0.0 112.185 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.519 ' HB3' HD12 ' A' ' 4' ' ' LEU . 7.6 p30 -117.73 -0.41 11.8 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 124.997 1.319 . . . . 0.0 112.28 -174.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.2 p -51.46 -10.48 0.1 Allowed 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 161.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.7 p -120.85 -32.94 3.87 Favored 'General case' 0 C--O 1.221 -0.407 0 CA-C-O 115.913 -1.994 . . . . 0.0 113.932 151.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.58 -68.33 0.19 Allowed 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 119.853 1.206 . . . . 0.0 110.668 179.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 58.7 tp -57.47 -40.42 78.51 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 125.235 1.414 . . . . 0.0 111.621 177.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HB2' HG23 ' A' ' 64' ' ' THR . 20.1 ttpt -59.1 -47.32 85.69 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 123.127 0.571 . . . . 0.0 109.839 -176.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -72.48 -43.71 63.28 Favored 'General case' 0 CA--C 1.517 -0.316 0 C-N-CA 123.401 0.68 . . . . 0.0 109.56 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -61.08 -11.59 9.13 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.042 0.937 . . . . 0.0 111.594 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 62.6 mt -105.67 -50.62 3.16 Favored 'General case' 0 C--O 1.208 -1.111 0 CA-C-O 115.638 -2.125 . . . . 0.0 110.436 172.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.6 ptt180 -64.89 -33.96 77.25 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 123.91 3.05 . . . . 0.0 111.551 -174.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -66.86 -46.2 75.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 N-CA-C 107.854 -1.165 . . . . 0.0 107.854 175.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -66.2 -49.8 66.07 Favored 'General case' 0 C--O 1.214 -0.802 0 CA-C-O 118.436 -0.792 . . . . 0.0 110.749 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 10.0 mt -50.95 -28.02 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 125.14 1.376 . . . . 0.0 112.312 175.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -48.09 25.46 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.902 0.773 . . . . 0.0 110.241 174.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 22.0 m -55.05 -46.64 75.37 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.64 1.176 . . . . 0.0 111.564 170.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -61.68 115.47 3.99 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 122.649 1.214 . . . . 0.0 111.646 -152.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -14.7 62.63 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 127.338 2.255 . . . . 0.0 113.95 174.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.694 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 6.9 mptt -98.11 169.4 9.63 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 126.069 1.748 . . . . 0.0 109.338 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -115.06 -31.74 5.95 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -79.86 94.99 5.93 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.411 1.46 . . . . 0.0 109.287 -179.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.8 mm -89.34 102.74 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.221 0 N-CA-C 104.758 -2.312 . . . . 0.0 104.758 -178.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 107' ' ' VAL . 3.5 t -105.06 125.14 60.12 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.666 0 N-CA-C 105.203 -2.147 . . . . 0.0 105.203 -175.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -90.94 143.75 26.4 Favored 'General case' 0 C--O 1.208 -1.131 0 CA-C-O 117.098 -1.429 . . . . 0.0 107.705 172.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.46 ' HA ' ' OG ' ' A' ' 82' ' ' SER . 13.8 t70 -113.05 122.89 48.95 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 130.714 3.606 . . . . 0.0 107.869 171.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -118.21 23.76 11.39 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 123.657 0.783 . . . . 0.0 110.749 -171.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.35 -30.44 71.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.426 -0.796 . . . . 0.0 111.48 177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.6 m -81.56 -10.57 59.42 Favored 'General case' 0 N--CA 1.447 -0.611 0 O-C-N 120.33 -1.481 . . . . 0.0 111.623 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.407 ' CG1' HG22 ' A' ' 23' ' ' ILE . 47.7 t -88.89 84.55 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 -171.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.446 ' HA ' ' HD2' ' A' ' 85' ' ' LYS . 2.5 m -70.7 -22.5 62.45 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.541 1.137 . . . . 0.0 113.41 -178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -147.89 158.7 44.18 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 127.588 2.355 . . . . 0.0 107.246 -176.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.455 ' HB2' HD12 ' A' ' 88' ' ' ILE . 2.5 ttt -144.43 125.49 14.49 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 125.36 1.464 . . . . 0.0 107.478 178.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -83.09 158.41 22.44 Favored 'General case' 0 C--O 1.234 0.265 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 167.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.8 m -52.02 -8.42 0.07 Allowed 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 128.235 2.614 . . . . 0.0 114.771 170.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -101.4 -26.17 13.69 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 125.373 1.469 . . . . 0.0 109.742 178.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -59.88 -49.3 80.0 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.71 -42.14 98.55 Favored 'General case' 0 C--O 1.233 0.215 0 O-C-N 121.938 -0.742 . . . . 0.0 109.896 178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -65.91 -9.55 47.1 Favored Glycine 0 CA--C 1.535 1.319 0 C-N-CA 125.433 1.492 . . . . 0.0 112.654 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.407 HG23 ' HB2' ' A' ' 32' ' ' LYS . 52.2 m -107.66 0.21 22.32 Favored 'General case' 0 C--O 1.223 -0.292 0 C-N-CA 126.925 2.09 . . . . 0.0 110.381 -176.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.8 mt -118.82 -32.21 4.58 Favored 'General case' 0 C--O 1.226 -0.169 0 C-N-CA 124.095 0.958 . . . . 0.0 110.058 174.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.3 p -58.98 -41.47 83.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 172.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 p -64.85 -29.14 46.52 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.562 0 C-N-CA 125.581 1.553 . . . . 0.0 112.451 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 23.7 mm -76.14 -18.99 15.27 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 123.454 0.701 . . . . 0.0 109.801 -176.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.3 tp -49.22 -54.52 16.25 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-N 119.323 0.965 . . . . 0.0 108.692 168.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.3 tttp -56.39 -66.31 0.46 Allowed 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 116.865 -1.541 . . . . 0.0 110.081 174.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -41.14 -44.4 2.52 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 120.842 1.655 . . . . 0.0 112.591 -176.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.36 -59.29 4.89 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 124.658 1.183 . . . . 0.0 110.243 175.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.07 -31.78 61.43 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.821 1.648 . . . . 0.0 111.938 178.227 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 45.2 mt -57.77 -48.18 84.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 120.794 1.634 . . . . 0.0 108.585 172.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -94.55 11.56 30.51 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.326 0.651 . . . . 0.0 112.025 -179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 69.73 20.91 76.25 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.134 1.35 . . . . 0.0 113.629 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 11.0 mmtt -92.55 158.68 15.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 107.699 -1.222 . . . . 0.0 107.699 -178.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -91.06 -177.45 4.91 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.164 0.586 . . . . 0.0 110.536 172.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -158.06 130.91 7.33 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.471 1.108 . . . . 0.0 110.212 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 69.8 mt -144.09 156.73 15.6 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 C-N-CA 127.39 2.276 . . . . 0.0 107.454 -178.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 86.2 mt -117.23 141.34 48.42 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.534 1.533 . . . . 0.0 108.592 171.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 50' ' ' ASP . 59.5 p -128.83 166.18 19.55 Favored 'General case' 0 N--CA 1.446 -0.655 0 C-N-CA 126.792 2.037 . . . . 0.0 111.174 -177.446 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.4 m 50.62 30.19 4.68 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.137 1.775 . . . . 0.0 114.214 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.445 HD12 HG23 ' A' ' 103' ' ' ILE . 7.0 mt -66.92 130.12 42.11 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.482 -1.386 . . . . 0.0 110.238 -170.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 55' ' ' SER . 55.5 mttt -65.91 147.79 52.81 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.531 169.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -59.09 -39.89 83.59 Favored 'General case' 0 C--N 1.321 -0.648 0 O-C-N 124.469 1.106 . . . . 0.0 108.896 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 17.7 m -66.89 -12.37 59.1 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.486 0.714 . . . . 0.0 112.615 -172.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.455 HD12 ' HB2' ' A' ' 57' ' ' MET . 18.5 mm -113.33 -41.99 3.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.111 0 C-N-CA 128.207 2.603 . . . . 0.0 107.762 -174.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.36 -39.4 93.02 Favored 'General case' 0 N--CA 1.445 -0.676 0 C-N-CA 123.897 0.879 . . . . 0.0 109.145 -179.063 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -55.93 -54.64 42.23 Favored 'General case' 0 C--O 1.217 -0.632 0 CA-C-O 118.016 -0.992 . . . . 0.0 110.32 165.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -58.79 -41.01 81.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 125.337 1.455 . . . . 0.0 108.977 -164.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.3 mt -51.68 -53.48 38.53 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 172.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.6 tttt -64.6 -35.7 81.86 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 120.452 -1.405 . . . . 0.0 111.771 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 mp -61.36 -18.33 58.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.297 1.039 . . . . 0.0 112.328 170.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.3 m -115.62 18.52 15.8 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.409 1.484 . . . . 0.0 111.242 178.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 51.01 27.69 3.4 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.912 2.485 . . . . 0.0 114.28 -173.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -86.18 -30.93 22.06 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 124.268 1.027 . . . . 0.0 112.32 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -34.42 77.8 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.444 1.02 . . . . 0.0 109.864 -178.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 3.0 ptmt -63.38 -21.08 66.06 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 116.662 -1.637 . . . . 0.0 113.672 175.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.0 pt -120.77 8.79 6.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 121.817 2.099 . . . . 0.0 112.856 -165.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -128.13 -171.19 2.39 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 129.821 3.248 . . . . 0.0 107.903 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -125.96 147.13 49.59 Favored 'General case' 0 CA--C 1.509 -0.61 0 O-C-N 121.353 -0.842 . . . . 0.0 109.55 163.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.445 HG23 HD12 ' A' ' 84' ' ' LEU . 4.7 mp -123.79 129.68 74.31 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.055 0 O-C-N 125.963 2.039 . . . . 0.0 106.224 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.1 p -129.52 172.06 11.94 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 126.134 1.773 . . . . 0.0 109.983 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -79.01 -50.91 10.34 Favored 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 121.391 -0.818 . . . . 0.0 110.209 179.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 25.6 p -119.96 156.41 30.89 Favored 'General case' 0 N--CA 1.432 -1.357 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 -172.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.641 ' HA ' HG11 ' A' ' 48' ' ' VAL . 34.2 m -59.75 -20.98 20.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 C-N-CA 124.123 0.969 . . . . 0.0 110.583 167.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.07 -27.79 24.5 Favored 'General case' 0 N--CA 1.447 -0.581 0 C-N-CA 126.557 1.943 . . . . 0.0 112.332 -176.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -67.63 -21.12 65.4 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.423 1.011 . . . . 0.0 111.633 177.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.366 0 CA-C-O 117.963 -1.017 . . . . 0.0 111.201 177.391 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ttt . . . . . 0 N--CA 1.465 0.32 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 t-20 -67.8 156.12 37.77 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 119.401 1.001 . . . . 0.0 110.555 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -145.5 85.64 1.72 Allowed 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 125.804 1.642 . . . . 0.0 107.041 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.62 117.14 4.57 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 108.293 -1.002 . . . . 0.0 108.293 173.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' C ' HD23 ' A' ' 6' ' ' LEU . 4.5 mttp -172.16 179.88 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 127.773 2.429 . . . . 0.0 106.775 175.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.427 HD23 ' N ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -118.24 130.27 55.97 Favored 'General case' 0 N--CA 1.438 -1.066 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.628 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.86 -43.84 29.03 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 128.049 2.54 . . . . 0.0 109.126 -166.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 60.5 mt 60.99 121.1 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 129.319 3.048 . . . . 0.0 113.074 169.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.2 t -134.08 90.73 1.07 Allowed 'Isoleucine or valine' 0 C--O 1.224 -0.251 0 C-N-CA 128.084 2.554 . . . . 0.0 107.839 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -64.1 120.19 11.6 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 121.397 -0.815 . . . . 0.0 108.885 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -94.43 -148.17 0.27 Allowed 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 124.491 1.117 . . . . 0.0 109.885 176.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -77.0 -47.37 20.9 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.958 1.303 . . . . 0.0 110.099 -168.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -142.32 0.1 1.3 Allowed 'General case' 0 N--CA 1.471 0.598 0 CA-C-O 122.005 0.907 . . . . 0.0 112.408 172.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -109.95 138.55 46.16 Favored 'General case' 0 N--CA 1.447 -0.588 0 N-CA-C 107.412 -1.329 . . . . 0.0 107.412 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.434 ' HB1' ' HZ ' ' A' ' 38' ' ' PHE . . . -85.85 108.77 18.29 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 104.918 -2.253 . . . . 0.0 104.918 167.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 45.6 mt -78.03 129.53 37.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 57.2 t -117.2 83.39 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 12.3 mtp180 -66.49 130.72 44.13 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 106.421 -1.696 . . . . 0.0 106.421 172.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.9 t -110.34 147.2 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mm-40 -128.98 143.43 50.87 Favored 'General case' 0 N--CA 1.448 -0.532 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.07 143.84 15.53 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 125.001 1.286 . . . . 0.0 110.46 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -61.25 148.06 42.33 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 126.192 1.797 . . . . 0.0 109.307 159.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 57' ' ' MET . 5.7 tp -109.38 127.46 66.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 -167.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -147.73 -175.29 4.81 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.443 1.097 . . . . 0.0 111.37 -175.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -68.87 -16.08 63.67 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 126.845 2.058 . . . . 0.0 114.99 -178.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -81.66 -35.58 29.77 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 120.322 1.419 . . . . 0.0 109.487 166.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 42.3 m-20 -89.78 -13.11 37.37 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.997 -1.483 . . . . 0.0 106.997 -165.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.1 p -63.75 0.99 0.68 Allowed 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 130.581 3.552 . . . . 0.0 114.24 173.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.2 p -120.56 -25.3 5.58 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 117.15 -1.405 . . . . 0.0 111.883 159.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -65.69 -66.66 0.52 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 119.625 1.102 . . . . 0.0 111.723 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.471 HD23 ' C ' ' A' ' 31' ' ' LEU . 7.0 tt -49.76 -45.38 49.48 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 120.027 1.285 . . . . 0.0 110.255 176.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.3 ttpt -55.48 -50.86 68.81 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 -176.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.83 -50.74 72.28 Favored 'General case' 0 CA--C 1.511 -0.539 0 C-N-CA 124.952 1.301 . . . . 0.0 110.367 -178.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -48.27 -43.26 32.54 Favored 'General case' 0 CA--C 1.513 -0.473 0 O-C-N 125.084 1.49 . . . . 0.0 108.603 -177.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.23 -48.25 8.71 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.137 -1.411 . . . . 0.0 109.852 -168.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.3 ptm85 -62.22 -32.38 73.04 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 121.911 2.141 . . . . 0.0 111.359 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -67.62 -48.79 65.75 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 173.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' HZ ' ' HB1' ' A' ' 15' ' ' ALA . 62.5 t80 -73.59 -38.61 65.08 Favored 'General case' 0 C--O 1.218 -0.575 0 N-CA-C 112.814 0.672 . . . . 0.0 112.814 -172.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 2.7 mt -52.05 -36.83 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 119.846 1.203 . . . . 0.0 111.467 169.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -53.16 58.82 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 173.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.4 m -53.56 -54.84 31.64 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.584 1.153 . . . . 0.0 111.794 175.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 10.4 t -72.36 126.5 29.98 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.085 -137.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.0 m -59.5 -11.37 4.47 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 126.177 1.791 . . . . 0.0 113.532 170.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -107.44 166.08 10.92 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 119.654 1.116 . . . . 0.0 109.752 -176.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.0 mtmm -110.3 -41.41 4.4 Favored 'General case' 0 CA--C 1.501 -0.908 0 CA-C-O 116.981 -1.485 . . . . 0.0 111.037 -177.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.415 ' C ' HG13 ' A' ' 47' ' ' ILE . 4.2 mtmm -70.37 145.43 51.13 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 120.835 1.652 . . . . 0.0 110.678 172.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.435 HD12 ' O ' ' A' ' 78' ' ' GLU . 49.7 mt -137.69 93.21 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 N-CA-C 102.343 -3.206 . . . . 0.0 102.343 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 12.1 t -108.94 104.84 17.72 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 -161.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -83.16 155.3 23.84 Favored 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.48 -1.236 . . . . 0.0 109.479 -172.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 23.5 t0 -133.6 107.97 8.3 Favored 'General case' 0 C--N 1.323 -0.55 0 C-N-CA 125.851 1.66 . . . . 0.0 107.298 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -107.07 19.63 20.15 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 125.46 1.504 . . . . 0.0 111.178 -167.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.7 t -51.59 -30.88 22.74 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 126.006 1.722 . . . . 0.0 111.639 175.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.5 m -98.03 -5.38 34.11 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 125.982 1.713 . . . . 0.0 112.268 -176.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.2 t -83.14 89.6 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 N-CA-C 105.428 -2.064 . . . . 0.0 105.428 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.9 m -80.83 -25.01 38.06 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.025 -1.047 . . . . 0.0 113.007 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -136.14 156.87 48.07 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 107.308 -1.368 . . . . 0.0 107.308 175.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.419 ' HG3' ' CG2' ' A' ' 23' ' ' ILE . 10.5 ttt -147.4 138.39 23.63 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 125.457 1.503 . . . . 0.0 107.544 175.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -106.84 174.59 5.82 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.674 0.79 . . . . 0.0 109.43 166.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 17.7 m -51.92 -29.02 18.4 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.547 1.139 . . . . 0.0 112.321 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.41 86.33 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.904 0.882 . . . . 0.0 109.46 -176.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.89 -42.22 59.76 Favored Glycine 0 CA--C 1.523 0.566 0 C-N-CA 125.31 1.433 . . . . 0.0 110.635 -177.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.537 ' C ' HD12 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.79 -52.97 46.37 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.259 1.424 . . . . 0.0 108.928 -172.458 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.422 ' HA2' HG12 ' A' ' 66' ' ' VAL . . . -60.45 -24.34 61.5 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.873 0.749 . . . . 0.0 111.475 177.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 27.1 m -86.46 -2.06 58.12 Favored 'General case' 0 N--CA 1.45 -0.468 0 C-N-CA 125.597 1.559 . . . . 0.0 111.354 -175.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.4 mt -117.89 -41.89 2.87 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 HG12 ' HA2' ' A' ' 63' ' ' GLY . 6.0 p -65.35 -20.27 27.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.686 0 CA-C-O 121.41 0.624 . . . . 0.0 111.916 175.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 9.4 p -69.8 -40.63 79.26 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 O-C-N 121.399 -0.813 . . . . 0.0 110.629 167.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 26.5 mm -69.06 -31.38 50.04 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.259 1.023 . . . . 0.0 109.035 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 37.1 tp -54.31 -29.71 48.63 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 120.88 -1.138 . . . . 0.0 111.319 170.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.4 tttp -82.96 -62.2 1.66 Allowed 'General case' 0 C--O 1.217 -0.651 0 CA-C-O 115.821 -2.037 . . . . 0.0 109.32 164.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -44.94 -42.12 7.85 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 122.21 2.277 . . . . 0.0 113.764 -171.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.66 -58.09 9.43 Favored 'General case' 0 C--N 1.342 0.254 0 C-N-CA 126.799 2.04 . . . . 0.0 109.586 173.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.95 -28.69 58.12 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.979 1.712 . . . . 0.0 113.319 174.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -61.11 -41.38 89.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-N 121.214 1.824 . . . . 0.0 108.482 172.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.64 12.58 16.43 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 118.661 0.664 . . . . 0.0 112.168 174.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 58.72 48.0 87.29 Favored Glycine 0 C--N 1.336 0.543 0 C-N-CA 125.394 1.473 . . . . 0.0 112.855 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.4 mttt -120.5 167.83 11.97 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.791 0.796 . . . . 0.0 111.021 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.435 ' O ' HD12 ' A' ' 47' ' ' ILE . 0.3 OUTLIER -89.87 -175.33 4.58 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 128.012 2.525 . . . . 0.0 111.133 -176.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -174.17 124.16 0.32 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 126.798 2.039 . . . . 0.0 108.049 176.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 52.3 mt -144.52 144.29 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 -178.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -106.51 138.67 42.27 Favored 'General case' 0 CA--C 1.516 -0.328 0 C-N-CA 124.789 1.236 . . . . 0.0 109.533 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.27 164.89 27.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 122.825 0.45 . . . . 0.0 110.884 177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.2 t 45.01 44.96 8.58 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.353 1.461 . . . . 0.0 111.467 -170.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.422 HD12 HG23 ' A' ' 103' ' ' ILE . 20.0 mt -71.42 124.17 24.0 Favored 'General case' 0 C--O 1.236 0.366 0 N-CA-C 107.587 -1.264 . . . . 0.0 107.587 174.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.43 155.03 22.71 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-O 122.906 1.336 . . . . 0.0 109.768 176.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.37 -29.6 67.42 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 112.909 -1.95 . . . . 0.0 109.84 -174.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 7.0 t -79.19 -4.69 51.74 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.652 1.181 . . . . 0.0 112.109 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 38.5 mm -119.83 -39.23 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.461 0.097 0 C-N-CA 124.901 1.28 . . . . 0.0 108.585 -172.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 41.7 t -55.8 -47.47 77.07 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 124.266 1.026 . . . . 0.0 108.649 175.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -60.32 -37.21 79.91 Favored 'General case' 0 C--O 1.219 -0.524 0 O-C-N 120.676 -1.265 . . . . 0.0 113.258 172.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.1 mt -62.66 -45.8 97.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 107.4 -1.334 . . . . 0.0 107.4 -173.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.2 mt -57.3 -32.4 66.61 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 118.563 -0.732 . . . . 0.0 109.819 171.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.1 ttpp -69.67 -49.53 52.66 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 122.58 2.446 . . . . 0.0 111.924 174.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.65 -23.55 6.77 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.011 1.724 . . . . 0.0 111.912 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 m -120.11 27.96 8.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.635 1.574 . . . . 0.0 111.666 179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 46.34 44.39 12.58 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 127.707 2.403 . . . . 0.0 114.537 174.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.434 HD21 HD13 ' A' ' 62' ' ' LEU . 0.3 OUTLIER -112.17 -42.62 3.69 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 128.22 2.608 . . . . 0.0 108.38 -170.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.44 -35.47 67.9 Favored 'General case' 0 C--N 1.326 -0.418 0 C-N-CA 124.632 1.173 . . . . 0.0 110.332 172.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -7.68 47.24 Favored 'General case' 0 CA--C 1.531 0.25 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.1 pt -134.0 -26.29 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 C-N-CA 124.481 1.113 . . . . 0.0 112.181 -169.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.427 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.8 m-30 -74.86 -169.28 0.86 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.157 1.783 . . . . 0.0 109.872 169.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -133.39 134.34 43.56 Favored 'General case' 0 CA--C 1.5 -0.943 0 CA-C-N 119.094 0.861 . . . . 0.0 109.251 174.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.422 HG23 HD12 ' A' ' 84' ' ' LEU . 4.1 mp -124.23 127.59 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 124.7 1.25 . . . . 0.0 108.275 -169.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.8 p -123.5 173.53 7.97 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 127.031 2.132 . . . . 0.0 109.075 173.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.58 -71.35 0.67 Allowed 'General case' 0 N--CA 1.444 -0.75 0 N-CA-C 103.086 -2.931 . . . . 0.0 103.086 177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 9.0 p -93.4 153.51 18.47 Favored 'General case' 0 N--CA 1.435 -1.193 0 C-N-CA 125.456 1.502 . . . . 0.0 108.352 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.1 m -66.84 -14.24 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.019 -0.991 . . . . 0.0 110.143 167.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -75.16 -22.32 58.17 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.574 1.95 . . . . 0.0 112.24 170.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.9 -2.04 45.92 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.1 0.96 . . . . 0.0 111.863 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.387 0 CA-C-O 116.95 -1.5 . . . . 0.0 113.327 -165.79 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 50.76 40.65 24.94 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.466 1.03 . . . . 0.0 112.412 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 47.94 48.93 17.57 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.862 1.665 . . . . 0.0 113.192 -172.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 tp -55.79 105.57 0.19 Allowed 'General case' 0 C--O 1.238 0.46 0 C-N-CA 126.09 1.756 . . . . 0.0 110.839 175.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 151.26 28.56 Favored 'General case' 0 CA--C 1.497 -1.058 0 C-N-CA 123.988 0.915 . . . . 0.0 111.104 177.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.8 mt -96.76 133.97 40.65 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 -178.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.26 -16.41 19.42 Favored 'General case' 0 C--N 1.325 -0.5 0 C-N-CA 125.005 1.322 . . . . 0.0 111.761 -168.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.2 mt 35.16 119.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.937 1 C-N-CA 132.412 4.285 . . . . 0.0 115.153 169.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.5 t -135.96 85.46 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 C-N-CA 127.842 2.457 . . . . 0.0 106.2 -174.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.66 112.64 3.76 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 106.698 -1.593 . . . . 0.0 106.698 173.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HB3' ' HG2' ' A' ' 14' ' ' LYS . 6.3 tm0? -79.75 -147.62 0.05 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -68.96 -60.28 2.47 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 120.402 -1.436 . . . . 0.0 109.778 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -139.6 3.31 2.08 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-O 122.616 1.198 . . . . 0.0 111.527 -174.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG2' ' HB3' ' A' ' 11' ' ' GLN . 14.3 ptmt -119.98 140.93 50.18 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 130.636 3.574 . . . . 0.0 106.098 178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.69 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -107.97 109.97 21.58 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 124.918 1.287 . . . . 0.0 108.193 -176.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.401 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 34.8 mt -84.69 105.25 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.117 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.2 t -87.74 96.25 5.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 162.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.497 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 6.0 mtm180 -68.9 124.6 24.15 Favored 'General case' 0 CA--C 1.515 -0.37 0 N-CA-C 106.409 -1.7 . . . . 0.0 106.409 161.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.434 ' CG2' HD12 ' A' ' 49' ' ' LEU . 69.7 t -86.23 148.26 4.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 106.539 -1.652 . . . . 0.0 106.539 171.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -113.51 154.31 27.28 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 107.03 -1.47 . . . . 0.0 107.03 154.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.67 150.01 13.46 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 125.74 1.638 . . . . 0.0 112.295 173.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -55.36 173.95 0.1 Allowed 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 129.273 3.029 . . . . 0.0 113.298 167.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG22 ' CG1' ' A' ' 54' ' ' VAL . 14.9 tt -136.02 115.0 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 O-C-N 120.102 -1.624 . . . . 0.0 112.16 -173.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 41.9 p30 -153.76 -168.99 3.14 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 124.785 1.234 . . . . 0.0 110.317 177.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -56.03 -33.09 64.61 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 117.158 -1.401 . . . . 0.0 113.333 178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -65.02 -34.7 79.07 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 121.351 1.887 . . . . 0.0 110.833 175.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 58.9 m-20 -98.96 -6.73 28.18 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 108.137 -1.061 . . . . 0.0 108.137 -170.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.495 ' O ' ' HE3' ' A' ' 32' ' ' LYS . 8.7 t -68.0 -13.1 61.91 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.021 2.128 . . . . 0.0 112.643 179.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.4 p -106.81 -26.49 11.24 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-N 119.973 1.26 . . . . 0.0 111.004 163.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.95 -61.65 1.71 Allowed 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 119.227 0.921 . . . . 0.0 110.133 -175.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 63.9 tp -53.1 -44.24 67.44 Favored 'General case' 0 N--CA 1.45 -0.444 0 O-C-N 121.212 -0.93 . . . . 0.0 110.291 174.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.495 ' HE3' ' O ' ' A' ' 28' ' ' SER . 24.3 ttmt -54.6 -52.87 60.83 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 123.19 0.596 . . . . 0.0 110.829 178.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -68.59 -41.0 80.24 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -58.88 -35.25 72.7 Favored 'General case' 0 CA--C 1.521 -0.136 0 C-N-CA 123.998 0.919 . . . . 0.0 109.179 -179.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 85.0 mt -87.81 -46.04 9.79 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-O 115.412 -2.232 . . . . 0.0 111.342 -176.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.5 ptt180 -56.56 -35.63 68.38 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 123.481 2.855 . . . . 0.0 110.785 176.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -79.05 -37.6 38.56 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.899 0.879 . . . . 0.0 110.519 -177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -70.82 -49.7 43.51 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 118.217 -0.897 . . . . 0.0 110.374 175.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.469 ' HA ' HG22 ' A' ' 42' ' ' THR . 16.8 mt -49.27 -42.21 15.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 CA-C-O 118.339 -0.839 . . . . 0.0 111.393 175.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.8 t -59.16 -37.94 78.54 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 118.416 0.553 . . . . 0.0 111.102 178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.7 m -71.53 -58.16 3.75 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 124.053 0.941 . . . . 0.0 111.622 171.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 39' ' ' ILE . 12.1 t -58.74 118.47 5.73 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-O 122.444 1.116 . . . . 0.0 111.299 -145.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.2 m -60.02 -32.2 70.66 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 123.877 0.871 . . . . 0.0 111.899 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.69 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 38.4 mmtm -79.06 160.43 27.11 Favored 'General case' 0 CA--C 1.52 -0.201 0 C-N-CA 124.297 1.039 . . . . 0.0 108.853 -175.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.4 mtpp -106.21 -39.66 5.87 Favored 'General case' 0 CA--C 1.507 -0.699 0 CA-C-O 117.873 -1.06 . . . . 0.0 111.838 -176.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -76.47 98.26 4.55 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 116.809 -1.567 . . . . 0.0 110.266 -176.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.4 mm -83.43 102.23 9.13 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 121.243 1.838 . . . . 0.0 107.319 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 71.0 t -96.42 120.96 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.34 0 C-N-CA 128.442 2.697 . . . . 0.0 107.823 -176.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.434 HD12 ' CG2' ' A' ' 19' ' ' VAL . 3.9 mm? -111.0 108.99 18.91 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 123.169 0.588 . . . . 0.0 111.395 -175.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 11.7 t70 -79.47 115.98 19.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-O 116.305 -1.807 . . . . 0.0 111.587 179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . 0.283 0.8 OUTLIER -102.81 22.15 14.27 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 121.943 2.156 . . . . 0.0 115.454 -179.499 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 p -69.43 -23.24 63.66 Favored 'General case' 0 N--CA 1.445 -0.71 0 CA-C-O 117.552 -1.213 . . . . 0.0 111.844 -174.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.9 m -81.4 -35.64 30.48 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 120.202 1.364 . . . . 0.0 110.934 173.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 ' CG1' HG22 ' A' ' 23' ' ' ILE . 58.3 t -60.65 95.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.344 0.328 0 C-N-CA 124.554 1.142 . . . . 0.0 108.886 -168.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.6 m -93.23 -7.23 45.7 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 114.237 1.199 . . . . 0.0 114.237 -168.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -146.48 146.99 30.74 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.861 -1.533 . . . . 0.0 106.861 172.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.422 ' HG3' HG23 ' A' ' 23' ' ' ILE . 10.6 ttt -136.87 153.1 50.86 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.988 0.915 . . . . 0.0 108.997 169.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -133.39 169.24 17.23 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 126.046 1.738 . . . . 0.0 108.364 169.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -34.88 -34.9 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 1 C-N-CA 131.896 4.078 . . . . 0.0 113.495 165.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.6 -54.55 41.48 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.433 ' O ' ' HB ' ' A' ' 64' ' ' THR . . . -37.23 -59.98 1.14 Allowed Glycine 0 C--O 1.214 -1.136 0 C-N-CA 128.855 3.122 . . . . 0.0 113.639 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.456 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -70.1 -30.13 67.26 Favored 'General case' 0 C--N 1.311 -1.102 0 O-C-N 118.854 -2.557 . . . . 0.0 110.758 -169.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.427 ' HA2' HG12 ' A' ' 66' ' ' VAL . . . -63.35 -30.76 78.54 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 124.724 1.154 . . . . 0.0 112.196 167.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 61' ' ' GLY . 33.7 m -72.79 -35.39 67.36 Favored 'General case' 0 CA--C 1.51 -0.587 0 C-N-CA 126.881 2.073 . . . . 0.0 108.161 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -81.43 -46.04 15.18 Favored 'General case' 0 N--CA 1.442 -0.862 0 CA-C-N 118.276 0.489 . . . . 0.0 110.765 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG12 ' HA2' ' A' ' 63' ' ' GLY . 4.2 p -74.37 -12.39 15.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 121.014 -1.054 . . . . 0.0 112.76 -173.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 1.3 p -67.27 -40.89 85.86 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 O-C-N 121.194 -0.941 . . . . 0.0 110.186 163.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 10.9 mm -67.83 -27.54 38.24 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 C-N-CA 124.221 1.009 . . . . 0.0 109.212 178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 tt -60.62 -16.64 40.53 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.426 -0.796 . . . . 0.0 111.253 172.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.0 tttp -82.87 -61.51 1.85 Allowed 'General case' 0 C--O 1.22 -0.464 0 O-C-N 120.274 -1.516 . . . . 0.0 110.766 156.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -47.4 -47.06 26.6 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 121.026 1.739 . . . . 0.0 114.03 -170.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.12 -50.65 72.15 Favored 'General case' 0 N--CA 1.448 -0.572 0 C-N-CA 125.665 1.586 . . . . 0.0 108.636 176.2 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.84 -51.28 61.55 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-O 117.322 -1.323 . . . . 0.0 110.911 173.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 23.2 mt -53.87 -46.17 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 120.18 1.354 . . . . 0.0 109.641 177.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.436 ' O ' ' HE2' ' A' ' 77' ' ' LYS . 1.8 t-20 -88.7 1.13 55.66 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-O 121.007 0.432 . . . . 0.0 111.818 -171.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 76.89 32.63 48.97 Favored Glycine 0 N--CA 1.443 -0.898 0 O-C-N 121.657 -0.652 . . . . 0.0 112.478 174.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.436 ' HE2' ' O ' ' A' ' 75' ' ' ASN . 62.0 mmtt -110.84 149.49 30.51 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.03 0.915 . . . . 0.0 108.556 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -85.57 175.95 8.49 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.055 1.342 . . . . 0.0 109.309 169.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -150.12 132.0 15.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 120.721 -1.237 . . . . 0.0 109.309 -172.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 17.0 mt -145.55 153.85 13.69 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 80.6 mt -119.59 143.31 47.71 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 105.134 -2.173 . . . . 0.0 105.134 168.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 1.7 m -142.93 162.01 36.6 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.514 1.125 . . . . 0.0 108.462 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m 55.44 70.37 0.64 Allowed 'General case' 0 CA--C 1.512 -0.513 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.31 141.86 31.55 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-O 121.958 0.885 . . . . 0.0 110.177 -177.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -72.44 150.57 43.22 Favored 'General case' 0 CA--C 1.506 -0.712 0 CA-C-N 114.291 -1.322 . . . . 0.0 107.759 168.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -55.22 -41.36 71.95 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.347 -0.983 . . . . 0.0 108.347 177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.2 m -62.73 -17.51 60.94 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 125.151 1.38 . . . . 0.0 112.862 -173.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 21.8 mm -117.33 -39.6 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.715 0 C-N-CA 125.74 1.616 . . . . 0.0 107.552 -167.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.06 -43.25 99.11 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 108.953 -0.758 . . . . 0.0 108.953 177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -58.66 -37.84 76.84 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.54 170.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.6 mt -66.38 -47.13 85.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 107.086 -1.449 . . . . 0.0 107.086 -172.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.1 mt -55.79 -50.81 69.47 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 9.3 ttpp -60.49 -51.59 68.81 Favored 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 124.502 1.121 . . . . 0.0 111.418 -174.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 37.0 mt -46.25 -58.94 3.23 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 127.568 2.347 . . . . 0.0 109.439 171.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.68 1.82 9.46 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 114.111 1.152 . . . . 0.0 114.111 -176.017 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.95 27.06 4.52 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 127.649 2.38 . . . . 0.0 111.95 178.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.79 -38.33 38.64 Favored 'General case' 0 CA--C 1.516 -0.33 0 C-N-CA 125.265 1.426 . . . . 0.0 110.171 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.53 -30.19 70.45 Favored 'General case' 0 CA--C 1.532 0.25 0 O-C-N 120.904 -1.123 . . . . 0.0 111.192 -169.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.81 -6.02 41.98 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 126.305 1.842 . . . . 0.0 114.254 176.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -127.95 -14.81 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 124.596 1.158 . . . . 0.0 111.717 -174.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -104.71 -178.09 3.55 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 127.936 2.495 . . . . 0.0 109.868 178.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -113.39 133.88 54.94 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 108.563 -0.902 . . . . 0.0 108.563 164.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.2 mp -128.91 134.58 64.01 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 N-CA-C 105.081 -2.192 . . . . 0.0 105.081 172.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.85 174.08 10.85 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.074 1.75 . . . . 0.0 109.864 175.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.68 -44.35 10.09 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 123.59 1.662 . . . . 0.0 110.783 -165.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 69.0 p -125.01 158.84 32.71 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 105.84 -1.911 . . . . 0.0 105.84 -178.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 24.1 m -58.96 -33.95 51.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 169.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -56.22 -37.92 70.33 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.679 1.192 . . . . 0.0 112.828 174.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.9 tp10 -77.26 -8.11 57.05 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.425 -0.797 . . . . 0.0 112.169 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 C-N-CA 124.5 1.12 . . . . 0.0 108.728 176.708 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ttt . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 118.425 -0.797 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 -94.25 122.05 36.4 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 119.939 1.245 . . . . 0.0 109.22 172.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.3 t30 -147.78 39.15 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 118.421 0.555 . . . . 0.0 111.143 171.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.471 HD21 ' HB2' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 66.06 138.1 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 125.8 1.64 . . . . 0.0 110.51 -169.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -161.09 -173.32 3.82 Favored 'General case' 0 CA--C 1.506 -0.723 0 O-C-N 120.736 -1.228 . . . . 0.0 109.37 -169.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.729 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.1 OUTLIER -123.41 176.1 6.35 Favored 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 165.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 -42.38 2.49 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 118.682 0.674 . . . . 0.0 111.311 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 53.7 mt 64.91 124.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 129.243 3.017 . . . . 0.0 113.116 173.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -137.95 87.0 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 127.19 2.196 . . . . 0.0 105.923 179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.7 mt-10 -61.61 113.25 2.6 Favored 'General case' 0 CA--C 1.533 0.315 0 O-C-N 120.598 -1.314 . . . . 0.0 108.126 172.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -84.69 -154.4 0.18 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 126.89 2.076 . . . . 0.0 108.069 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -61.32 -56.52 19.5 Favored 'General case' 0 CA--C 1.52 -0.186 0 C-N-CA 124.812 1.245 . . . . 0.0 109.806 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.59 11.28 1.45 Allowed 'General case' 0 C--O 1.236 0.369 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -117.75 147.86 42.57 Favored 'General case' 0 N--CA 1.453 -0.293 0 O-C-N 121.057 -1.027 . . . . 0.0 109.242 165.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -92.29 109.0 20.37 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.8 mt -77.46 87.5 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 N-CA-C 106.568 -1.641 . . . . 0.0 106.568 174.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.615 ' HB ' HD13 ' A' ' 49' ' ' LEU . 31.1 t -86.4 90.33 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 123.819 1.771 . . . . 0.0 108.459 177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.9 mtm180 -67.62 116.79 8.73 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.439 ' CG2' HD12 ' A' ' 49' ' ' LEU . 49.4 t -98.62 143.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 120.698 1.59 . . . . 0.0 108.47 -178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -132.84 150.12 52.19 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.555 1.142 . . . . 0.0 111.705 -173.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.15 150.11 5.29 Favored Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.511 1.529 . . . . 0.0 111.393 -178.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -56.39 143.28 35.19 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 127.721 2.408 . . . . 0.0 109.908 175.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG23 ' HG3' ' A' ' 57' ' ' MET . 14.9 tt -103.97 116.63 48.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 CA-C-O 121.522 0.677 . . . . 0.0 110.036 -169.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 p30 -150.66 -179.76 7.52 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 124.212 1.005 . . . . 0.0 111.869 -155.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.45 -16.38 9.34 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 120.121 -1.612 . . . . 0.0 112.982 172.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -81.96 -37.1 27.19 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.547 1.539 . . . . 0.0 108.369 -178.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' HB2' HD21 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -76.72 -14.51 59.94 Favored 'General case' 0 CA--C 1.503 -0.851 0 C-N-CA 123.693 0.797 . . . . 0.0 109.043 -178.717 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 83.8 p -54.84 -18.64 5.1 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 124.774 1.296 . . . . 0.0 113.14 -166.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.6 p -121.08 -22.76 6.01 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-O 116.997 -1.478 . . . . 0.0 112.977 165.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -63.29 -69.22 0.28 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 120.155 1.343 . . . . 0.0 108.272 -177.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -61.14 -36.55 80.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.883 0.873 . . . . 0.0 111.066 -178.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 ttpp -57.29 -45.46 84.1 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 117.43 -1.271 . . . . 0.0 109.636 174.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -67.78 -50.5 56.73 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.991 1.268 . . . . 0.0 109.763 178.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.729 ' HB3' HD11 ' A' ' 6' ' ' LEU . 19.0 mm-40 -61.1 -8.01 3.09 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.098 1.759 . . . . 0.0 112.212 -175.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.71 -49.54 2.54 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 115.03 -2.414 . . . . 0.0 111.707 175.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.2 ptm180 -54.37 -36.83 64.29 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 123.992 3.087 . . . . 0.0 110.321 177.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -72.04 -52.13 18.39 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.783 -1.192 . . . . 0.0 107.783 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -64.1 -43.67 94.66 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 118.291 -0.861 . . . . 0.0 111.074 -173.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.3 OUTLIER -47.78 -35.11 4.43 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-O 117.294 -1.336 . . . . 0.0 113.557 170.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 97.6 p -68.73 -50.4 51.0 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 120.232 1.378 . . . . 0.0 109.538 177.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.83 -43.64 98.25 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 123.809 0.844 . . . . 0.0 112.411 178.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 39' ' ' ILE . 9.7 t -59.98 130.07 44.93 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 122.468 1.127 . . . . 0.0 110.405 -151.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.7 m -79.7 -6.28 56.88 Favored 'General case' 0 N--CA 1.443 -0.798 0 C-N-CA 125.859 1.664 . . . . 0.0 111.755 -175.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.9 mmtp -119.15 150.21 40.43 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.89 1.276 . . . . 0.0 108.761 -178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.81 -34.21 13.26 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 118.456 -0.783 . . . . 0.0 113.055 -170.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -78.38 91.9 4.52 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 117.207 -1.377 . . . . 0.0 110.441 -179.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -83.14 98.72 5.3 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.105 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 63.0 t -95.54 132.66 39.07 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.367 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 -178.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.615 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.2 mm? -122.83 110.51 15.54 Favored 'General case' 0 C--O 1.209 -1.039 0 CA-C-O 117.971 -1.014 . . . . 0.0 109.332 -169.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -100.06 126.87 46.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.48 1.912 . . . . 0.0 111.282 -170.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -108.84 18.91 20.23 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.911 0.884 . . . . 0.0 113.026 -169.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.0 p -63.03 -25.01 68.18 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.538 -0.726 . . . . 0.0 112.116 -175.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.8 m -78.95 -41.16 29.98 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 120.75 -1.219 . . . . 0.0 109.994 174.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 4.6 t -73.09 112.78 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 C-N-CA 125.168 1.387 . . . . 0.0 110.297 -166.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.2 m -108.42 -26.95 10.22 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 114.621 1.341 . . . . 0.0 114.621 -167.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -110.69 171.32 7.53 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.069 1.747 . . . . 0.0 107.704 167.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.426 ' HG3' HG23 ' A' ' 23' ' ' ILE . 13.4 ttt -160.59 119.97 2.7 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.285 1.034 . . . . 0.0 109.103 170.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -84.79 166.97 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 124.302 1.041 . . . . 0.0 110.444 170.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.418 ' HA ' HD21 ' A' ' 62' ' ' LEU . 0.1 OUTLIER -44.17 -38.23 3.6 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.699 2.0 . . . . 0.0 112.759 161.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -67.12 -19.27 65.59 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.283 0.633 . . . . 0.0 110.755 -177.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -65.24 -59.06 8.31 Favored Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 172.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.55 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -64.57 -41.39 96.31 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 117.561 -1.209 . . . . 0.0 110.0 -171.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -57.66 -22.92 48.21 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-N 119.02 0.827 . . . . 0.0 113.268 172.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 35.3 m -100.36 -12.73 19.19 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 126.665 1.986 . . . . 0.0 110.239 -176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.2 mt -96.73 -42.24 8.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.039 0.936 . . . . 0.0 110.037 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -66.67 -26.97 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 120.169 -1.582 . . . . 0.0 111.538 -174.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.6 p -64.57 -35.88 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 124.905 1.282 . . . . 0.0 111.297 171.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 41.0 mm -69.57 -27.23 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 CA-C-O 117.75 -1.119 . . . . 0.0 110.297 -173.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.73 -49.9 64.49 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.12 1.327 . . . . 0.0 108.572 170.324 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 19.6 mtmt -65.56 -64.13 0.93 Allowed 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 -175.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -43.56 -41.54 4.57 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 125.111 1.364 . . . . 0.0 113.73 177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.25 -60.76 2.98 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 123.915 0.886 . . . . 0.0 109.266 172.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.43 -41.37 60.76 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 126.162 1.785 . . . . 0.0 112.102 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.42 -43.07 61.6 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 128.702 2.801 . . . . 0.0 108.437 176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -93.21 6.01 49.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.828 1.251 . . . . 0.0 112.068 177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.46 26.52 67.64 Favored Glycine 0 CA--C 1.53 0.977 0 CA-C-O 118.727 -1.04 . . . . 0.0 113.847 -179.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.7 mmtp -105.74 168.74 8.9 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.74 1.616 . . . . 0.0 109.71 -173.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -116.22 165.77 12.79 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.568 1.547 . . . . 0.0 110.373 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -150.23 124.91 9.73 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.211 1.004 . . . . 0.0 108.714 -169.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.47 HG23 ' HG2' ' A' ' 102' ' ' LYS . 57.1 mt -142.56 144.73 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -101.56 154.15 19.1 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-N 119.722 1.146 . . . . 0.0 110.133 171.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.4 p -141.93 163.83 31.82 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.747 -1.115 . . . . 0.0 112.14 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 40.97 49.95 3.06 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.399 1.88 . . . . 0.0 113.48 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.566 HD12 HG23 ' A' ' 103' ' ' ILE . 13.3 mt -75.23 151.95 38.37 Favored 'General case' 0 N--CA 1.463 0.212 0 O-C-N 120.698 -1.251 . . . . 0.0 109.541 -178.696 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 27.0 mttp -94.62 153.52 17.8 Favored 'General case' 0 CA--C 1.508 -0.636 0 C-N-CA 122.833 0.453 . . . . 0.0 110.564 -177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 31.8 tp10 -66.73 -16.63 64.37 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 124.653 1.181 . . . . 0.0 112.66 -176.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 5.7 t -88.42 -8.32 55.16 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.764 -0.585 . . . . 0.0 111.804 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 24.5 mm -123.78 -41.17 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.46 1.504 . . . . 0.0 107.952 -161.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -56.09 -46.81 78.91 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 174.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -57.43 -39.55 76.45 Favored 'General case' 0 C--O 1.217 -0.622 0 C-N-CA 124.545 1.138 . . . . 0.0 111.142 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.4 mt -64.2 -50.15 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 -174.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 11.5 mt -58.57 -51.1 71.34 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 108.111 -1.07 . . . . 0.0 108.111 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.6 ttpt -49.64 -54.16 20.12 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.284 1.034 . . . . 0.0 110.805 176.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 39.0 mt -52.63 -52.81 53.81 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 127.201 2.2 . . . . 0.0 109.645 178.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.1 p -68.86 4.39 1.51 Allowed 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 115.344 1.609 . . . . 0.0 115.344 176.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 58.66 32.45 22.18 Favored 'General case' 0 C--O 1.217 -0.621 0 C-N-CA 125.347 1.459 . . . . 0.0 110.978 -173.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.15 -36.78 19.33 Favored 'General case' 0 C--O 1.22 -0.481 0 O-C-N 120.697 -1.252 . . . . 0.0 109.817 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -19.81 62.98 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 120.019 -1.676 . . . . 0.0 112.334 -175.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -63.73 -16.5 61.28 Favored 'General case' 0 N--CA 1.47 0.575 0 C-N-CA 125.017 1.327 . . . . 0.0 113.18 170.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 15.9 pt -142.95 -0.79 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.601 0 C-N-CA 124.833 1.253 . . . . 0.0 111.786 -159.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -113.45 -169.61 1.53 Allowed 'General case' 0 C--O 1.235 0.331 0 C-N-CA 128.672 2.789 . . . . 0.0 108.028 174.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 80' ' ' ILE . 27.7 tttt -140.6 137.22 33.49 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.843 -1.075 . . . . 0.0 108.399 178.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.566 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -133.81 136.21 54.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 O-C-N 124.332 1.02 . . . . 0.0 109.116 -169.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.4 p -134.89 -169.75 2.42 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.092 0.957 . . . . 0.0 111.46 170.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.71 -44.99 3.73 Favored 'General case' 0 CA--C 1.517 -0.325 0 C-N-CA 125.968 1.707 . . . . 0.0 109.963 -171.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 41.7 p -117.63 149.64 40.36 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 107.953 -1.129 . . . . 0.0 107.953 170.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 16.4 m -55.0 -27.63 19.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.126 0.97 . . . . 0.0 111.042 170.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -64.85 -35.98 82.87 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.345 1.058 . . . . 0.0 111.54 175.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.43 -12.37 58.94 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.631 1.572 . . . . 0.0 112.84 -177.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 C-N-CA 125.474 1.51 . . . . 0.0 109.375 176.864 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ptt? . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -65.5 100.5 0.51 Allowed 'General case' 0 N--CA 1.477 0.903 0 O-C-N 120.323 -1.485 . . . . 0.0 111.447 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 46.0 51.0 11.17 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 126.531 1.932 . . . . 0.0 112.467 177.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 27' ' ' ASN . 21.7 tp -51.24 100.51 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 127.82 2.448 . . . . 0.0 112.615 -174.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -177.19 -179.54 0.89 Allowed 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 127.074 2.15 . . . . 0.0 108.98 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.865 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -115.7 157.14 24.7 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.911 2.084 . . . . 0.0 108.372 -178.6 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -107.98 -51.38 2.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.675 0.75 . . . . 0.0 112.238 -168.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 66.6 mt 67.98 125.08 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 C-N-CA 129.366 3.067 . . . . 0.0 113.032 168.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 80.7 t -142.42 101.15 0.86 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 127.768 2.427 . . . . 0.0 107.844 -177.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -71.4 106.79 4.05 Favored 'General case' 0 C--O 1.236 0.351 0 O-C-N 120.228 -1.545 . . . . 0.0 106.952 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -79.25 -158.66 0.16 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 107.672 -1.232 . . . . 0.0 107.672 175.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -65.59 -47.82 74.43 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 121.02 -1.05 . . . . 0.0 109.81 -167.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -135.9 -9.11 2.09 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 127.038 2.135 . . . . 0.0 111.334 -176.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -123.28 127.67 48.88 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.648 1.979 . . . . 0.0 108.379 -167.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -85.7 107.05 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 107.059 -1.46 . . . . 0.0 107.059 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 65.4 mt -77.68 109.17 11.96 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 N-CA-C 105.749 -1.945 . . . . 0.0 105.749 171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 59.5 t -97.58 97.55 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.492 0 N-CA-C 105.039 -2.208 . . . . 0.0 105.039 167.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -74.78 133.72 41.92 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 166.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.8 t -107.87 145.4 15.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 107.004 -1.48 . . . . 0.0 107.004 174.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -123.01 141.22 52.2 Favored 'General case' 0 N--CA 1.446 -0.652 0 C-N-CA 125.454 1.502 . . . . 0.0 107.222 173.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.62 146.69 21.09 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-O 123.47 1.594 . . . . 0.0 111.925 174.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.04 143.95 37.03 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 126.964 2.105 . . . . 0.0 106.977 -173.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 tt -110.05 125.11 67.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.889 0.852 . . . . 0.0 111.943 -153.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.6 p30 -161.13 -171.02 2.88 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 125.129 1.372 . . . . 0.0 110.394 -163.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.42 -22.11 60.95 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.865 2.066 . . . . 0.0 114.813 177.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.18 -17.59 56.62 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 120.682 1.583 . . . . 0.0 110.432 173.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.437 ' HB2' HD21 ' A' ' 4' ' ' LEU . 20.6 t-20 -109.56 -11.64 14.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.851 1.26 . . . . 0.0 110.614 -178.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 8.9 t -66.85 -6.18 15.33 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 125.91 1.684 . . . . 0.0 112.993 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 92.6 p -120.09 -31.08 4.52 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.688 162.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -64.26 -69.88 0.26 Allowed 'General case' 0 N--CA 1.456 -0.164 0 CA-C-N 118.978 0.808 . . . . 0.0 110.409 -176.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.2 tp -49.99 -41.55 47.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 119.352 0.978 . . . . 0.0 110.772 174.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HA ' HD11 ' A' ' 68' ' ' ILE . 35.3 ttpt -52.34 -57.27 10.3 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 122.931 0.492 . . . . 0.0 110.112 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -64.13 -49.29 72.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.724 1.209 . . . . 0.0 109.888 -179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.451 ' CB ' HD11 ' A' ' 6' ' ' LEU . 0.6 OUTLIER -65.36 -7.34 13.2 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 125.658 1.583 . . . . 0.0 112.389 -175.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 75.5 mt -104.69 -53.16 2.74 Favored 'General case' 0 C--O 1.211 -0.967 0 CA-C-O 116.477 -1.725 . . . . 0.0 109.39 169.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.0 ptm85 -62.39 -34.93 77.69 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 123.092 2.678 . . . . 0.0 111.199 -174.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -79.16 -19.67 50.41 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.943 1.297 . . . . 0.0 110.901 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -84.94 -62.28 1.58 Allowed 'General case' 0 C--O 1.211 -0.971 0 CA-C-O 116.036 -1.935 . . . . 0.0 109.121 173.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.1 mt -43.46 -37.11 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 C-N-CA 125.362 1.465 . . . . 0.0 112.842 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 11.4 t -57.07 -32.09 65.88 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.168 0.587 . . . . 0.0 111.638 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -96.68 -42.93 7.78 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 126.47 1.908 . . . . 0.0 107.984 -174.128 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.3 m -45.13 112.79 0.48 Allowed 'General case' 0 N--CA 1.437 -1.111 0 C-N-CA 126.507 1.923 . . . . 0.0 114.747 -163.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 m -68.82 -7.26 32.67 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 125.98 1.712 . . . . 0.0 113.991 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.516 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 73.1 mmtt -121.19 108.55 13.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 -166.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.8 mtpt -62.41 -36.5 82.56 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 118.167 -0.921 . . . . 0.0 111.013 -171.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 ttpt -77.13 90.84 3.66 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 120.298 1.408 . . . . 0.0 112.312 -172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.3 mm -79.52 95.53 2.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.258 0 N-CA-C 106.378 -1.712 . . . . 0.0 106.378 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 107' ' ' VAL . 1.4 t -80.74 144.79 10.0 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.826 0 N-CA-C 106.657 -1.609 . . . . 0.0 106.657 169.631 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.21 151.28 33.02 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.491 1.116 . . . . 0.0 108.296 168.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -129.82 121.02 25.95 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.361 1.864 . . . . 0.0 108.463 178.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -117.29 18.02 14.55 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.665 1.586 . . . . 0.0 112.483 -168.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.29 -34.43 10.43 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.511 1.924 . . . . 0.0 111.875 174.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.6 m -91.93 -2.48 56.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 126.379 1.872 . . . . 0.0 113.998 -176.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.6 t -102.13 84.69 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-N 120.011 1.278 . . . . 0.0 107.819 -164.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.28 -18.83 57.25 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-O 118.146 -0.93 . . . . 0.0 112.276 -173.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -138.4 152.13 48.11 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 125.032 1.333 . . . . 0.0 107.468 -178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 4.9 ttt -147.54 124.12 11.09 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 125.685 1.594 . . . . 0.0 107.191 175.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -89.67 171.19 9.84 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.075 -0.713 . . . . 0.0 109.075 171.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.6 m -44.95 -18.02 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 128.695 2.798 . . . . 0.0 113.505 160.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -71.03 -48.43 52.97 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.734 1.214 . . . . 0.0 109.933 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.86 -47.72 89.1 Favored Glycine 0 C--N 1.337 0.598 0 CA-C-O 122.203 0.891 . . . . 0.0 112.692 -166.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -65.54 -42.04 92.37 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 121.588 -0.948 . . . . 0.0 110.201 -174.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -67.77 -21.12 72.87 Favored Glycine 0 CA--C 1.531 1.035 0 C-N-CA 125.229 1.395 . . . . 0.0 112.106 174.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 80.3 m -88.49 -22.15 23.8 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 125.77 1.628 . . . . 0.0 109.059 179.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.0 mt -87.72 -47.3 8.76 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.794 0.725 . . . . 0.0 110.938 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.6 -26.69 41.32 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.547 0 O-C-N 120.915 -1.116 . . . . 0.0 112.301 -174.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.6 p -63.81 -31.66 53.98 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 121.386 -0.821 . . . . 0.0 111.15 173.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.412 HD11 ' HA ' ' A' ' 32' ' ' LYS . 6.0 mm -81.48 -29.22 10.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.187 0 C-N-CA 126.581 1.952 . . . . 0.0 110.156 175.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.1 tt -55.05 -32.31 61.8 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.804 -1.185 . . . . 0.0 109.644 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -68.08 -63.27 1.09 Allowed 'General case' 0 C--O 1.221 -0.428 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.017 160.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -49.26 -38.56 27.29 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 121.386 1.903 . . . . 0.0 114.343 -168.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.83 -57.78 11.23 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.504 1.122 . . . . 0.0 108.825 174.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -52.08 -34.05 42.13 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.756 1.623 . . . . 0.0 112.978 177.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 39.8 mt -56.74 -44.3 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 CA-C-N 120.724 1.602 . . . . 0.0 109.143 175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -95.34 14.05 23.7 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.592 1.157 . . . . 0.0 111.761 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 60.34 19.16 52.17 Favored Glycine 0 CA--C 1.528 0.868 0 C-N-CA 125.754 1.645 . . . . 0.0 113.93 -179.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -79.99 153.99 28.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 -178.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.63 178.25 8.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 126.22 1.808 . . . . 0.0 110.393 176.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -159.58 131.49 6.34 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 121.457 -0.777 . . . . 0.0 110.668 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.401 HG23 ' HG2' ' A' ' 102' ' ' LYS . 85.3 mt -142.12 149.88 19.29 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 C-N-CA 126.184 1.794 . . . . 0.0 107.423 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -113.78 138.65 49.97 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.439 1.096 . . . . 0.0 108.096 169.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.27 167.79 21.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.729 0.811 . . . . 0.0 112.541 177.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t 50.13 38.37 16.84 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 127.43 2.292 . . . . 0.0 112.112 -169.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.592 HD12 HG23 ' A' ' 103' ' ' ILE . 14.0 mt -68.75 116.92 9.81 Favored 'General case' 0 N--CA 1.441 -0.896 0 C-N-CA 125.994 1.718 . . . . 0.0 109.914 -178.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -61.89 144.08 55.47 Favored 'General case' 0 CA--C 1.493 -1.238 0 C-N-CA 124.487 1.115 . . . . 0.0 112.044 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -62.85 -25.93 68.51 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.969 -170.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 34.2 m -90.93 -7.15 52.91 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -178.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.5 mm -104.1 -32.09 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 C-N-CA 125.485 1.514 . . . . 0.0 108.689 173.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.2 m -61.48 -48.84 79.27 Favored 'General case' 0 N--CA 1.45 -0.434 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -51.72 -44.21 63.14 Favored 'General case' 0 C--O 1.216 -0.661 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.044 171.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -47.53 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 124.716 1.206 . . . . 0.0 108.604 -170.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.0 mt -55.89 -51.63 66.89 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 107.291 -1.374 . . . . 0.0 107.291 176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.67 -41.63 73.96 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 119.151 0.887 . . . . 0.0 112.233 178.319 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.8 mt -63.71 -57.36 10.24 Favored 'General case' 0 N--CA 1.44 -0.926 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 -170.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 4.8 m -71.32 -8.32 52.94 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.242 1.417 . . . . 0.0 113.058 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER 95.2 8.54 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.588 0 C-N-CA 130.806 3.642 . . . . 0.0 112.812 169.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.2 mp -59.45 -33.06 70.81 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 120.581 -1.325 . . . . 0.0 113.021 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.13 -18.36 63.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 119.455 1.025 . . . . 0.0 112.193 -170.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -8.19 59.06 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 119.402 1.001 . . . . 0.0 113.354 171.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 16.4 pt -134.89 8.7 1.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 C-N-CA 124.797 1.239 . . . . 0.0 111.687 -167.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -129.0 176.38 7.93 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 128.532 2.733 . . . . 0.0 108.598 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HG2' HG23 ' A' ' 80' ' ' ILE . 47.8 tttt -114.21 140.12 48.82 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 124.054 0.941 . . . . 0.0 109.77 170.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.592 HG23 HD12 ' A' ' 84' ' ' LEU . 4.7 mp -131.89 135.07 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.857 0 O-C-N 125.291 1.619 . . . . 0.0 107.727 179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.5 p -141.58 176.63 8.74 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 127.303 2.241 . . . . 0.0 108.942 175.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -86.98 -53.41 4.9 Favored 'General case' 0 CA--C 1.508 -0.671 0 C-N-CA 124.929 1.292 . . . . 0.0 109.975 -172.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 45.8 p -122.32 154.92 36.98 Favored 'General case' 0 N--CA 1.444 -0.744 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 -167.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.464 ' HA ' HG11 ' A' ' 48' ' ' VAL . 34.4 m -67.57 -17.99 23.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.998 0.904 . . . . 0.0 110.102 171.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -59.48 -45.2 92.32 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-O 116.858 -1.544 . . . . 0.0 112.119 166.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.16 -17.3 52.24 Favored 'General case' 0 C--N 1.348 0.508 0 CA-C-N 120.998 1.726 . . . . 0.0 112.665 -172.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.039 0 C-N-CA 122.873 0.469 . . . . 0.0 111.567 -174.333 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpt . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -150.73 71.86 1.06 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 125.641 1.576 . . . . 0.0 108.659 -172.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -154.45 38.11 0.43 Allowed 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 125.231 1.412 . . . . 0.0 110.168 173.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . 0.317 0.0 OUTLIER 68.19 144.21 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 127.585 2.354 . . . . 0.0 110.825 -166.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.51 153.9 20.04 Favored 'General case' 0 CA--C 1.508 -0.669 0 O-C-N 120.335 -1.478 . . . . 0.0 112.694 -177.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -106.92 136.84 46.08 Favored 'General case' 0 N--CA 1.442 -0.872 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -54.61 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 -177.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 84.9 mt 65.38 124.51 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 C-N-CA 129.484 3.113 . . . . 0.0 112.645 177.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.8 t -140.03 89.54 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 C-N-CA 126.136 1.775 . . . . 0.0 106.793 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.56 113.06 2.24 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 167.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -81.35 -142.36 0.04 OUTLIER 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -64.58 -65.64 0.65 Allowed 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 126.985 2.114 . . . . 0.0 108.797 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -137.3 -2.57 2.01 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 125.922 1.689 . . . . 0.0 111.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -100.47 133.75 44.44 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.314 2.646 . . . . 0.0 108.065 173.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.529 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -96.16 101.44 13.09 Favored 'General case' 0 N--CA 1.438 -1.047 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 43.8 mt -74.92 126.7 36.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.238 0 N-CA-C 105.774 -1.935 . . . . 0.0 105.774 175.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 47.7 t -112.75 90.82 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 169.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.492 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 1.3 mtt85 -76.68 117.45 18.32 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.35 142.12 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' CB ' ' A' ' 53' ' ' SER . 57.8 mt-30 -116.24 152.21 34.24 Favored 'General case' 0 N--CA 1.449 -0.502 0 C-N-CA 124.206 1.002 . . . . 0.0 110.023 172.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.512 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 83.98 159.64 29.41 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 125.821 1.676 . . . . 0.0 112.906 176.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -70.22 155.56 40.47 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 126.412 1.885 . . . . 0.0 107.483 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.523 HG23 ' HG3' ' A' ' 57' ' ' MET 0.259 1.0 OUTLIER -109.65 59.73 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 123.144 1.449 . . . . 0.0 108.31 -160.855 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.55 -174.91 2.76 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 125.272 1.429 . . . . 0.0 109.992 -171.673 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.68 -19.69 2.56 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 119.542 -1.974 . . . . 0.0 113.916 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -62.25 -37.21 84.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.943 1.297 . . . . 0.0 111.553 170.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.16 -17.77 41.74 Favored 'General case' 0 CA--C 1.512 -0.485 0 O-C-N 120.966 -1.084 . . . . 0.0 109.748 175.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.7 t -60.73 -10.52 5.51 Favored 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.864 0.69 . . . . 0.0 112.864 -171.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.8 p -120.64 -23.52 6.01 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 116.043 -1.932 . . . . 0.0 112.739 154.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -66.12 -68.63 0.35 Allowed 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 121.032 1.742 . . . . 0.0 109.873 -178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 38.8 tp -57.5 -35.75 70.62 Favored 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 119.623 -1.923 . . . . 0.0 111.293 -176.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -60.12 -49.69 76.66 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 118.654 -0.688 . . . . 0.0 110.892 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -65.02 -46.09 82.78 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 119.905 1.229 . . . . 0.0 109.116 178.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 30.4 mm-40 -74.81 -5.55 44.13 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.404 1.082 . . . . 0.0 111.098 -169.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 52.9 mt -112.71 -46.17 3.16 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 115.961 -1.971 . . . . 0.0 110.061 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -56.59 -41.71 77.43 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 121.618 2.008 . . . . 0.0 109.561 175.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 28.5 t30 -68.59 -43.01 77.41 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -65.11 -43.25 92.63 Favored 'General case' 0 N--CA 1.445 -0.708 0 C-N-CA 124.907 1.283 . . . . 0.0 110.707 177.061 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -55.53 -34.11 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 CA-C-N 119.666 1.121 . . . . 0.0 111.926 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.76 -54.07 32.08 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 123.692 0.797 . . . . 0.0 110.202 170.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 48.6 m -60.08 -34.22 73.16 Favored 'General case' 0 C--O 1.239 0.533 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.2 t -66.54 117.33 8.59 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 122.998 1.38 . . . . 0.0 110.671 -157.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.29 -30.16 69.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 126.559 1.943 . . . . 0.0 110.623 174.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 3.2 mptt -90.44 172.69 8.55 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 126.088 1.755 . . . . 0.0 108.302 -174.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HE3' ' HE2' ' A' ' 77' ' ' LYS . 5.3 mmtp -118.18 -32.03 4.83 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 -174.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -91.26 99.79 12.71 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-O 117.644 -1.169 . . . . 0.0 109.956 -174.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 11.2 mm -90.15 109.32 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.508 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 -172.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 49.0 t -111.02 102.36 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 125.546 1.539 . . . . 0.0 108.795 -169.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.443 ' HB2' HD23 ' A' ' 81' ' ' LEU . 2.8 mm? -89.37 112.2 23.24 Favored 'General case' 0 C--O 1.215 -0.74 0 C-N-CA 124.635 1.174 . . . . 0.0 111.04 -173.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 22.8 t0 -93.13 133.32 36.42 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.857 2.063 . . . . 0.0 110.318 -176.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.426 HD12 HG21 ' A' ' 54' ' ' VAL . 3.3 mm? -124.1 20.42 9.04 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -173.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.8 p -58.49 -27.29 64.31 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.948 -1.095 . . . . 0.0 112.627 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -70.1 -36.49 74.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.969 0.908 . . . . 0.0 111.614 174.332 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 21' ' ' GLY . 45.7 t -92.7 97.13 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 C-N-CA 124.514 1.126 . . . . 0.0 108.036 -148.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -90.72 -22.81 20.92 Favored 'General case' 0 N--CA 1.447 -0.611 0 C-N-CA 125.436 1.495 . . . . 0.0 112.879 -171.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -130.35 150.45 51.58 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 124.519 1.128 . . . . 0.0 109.182 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.523 ' HG3' HG23 ' A' ' 23' ' ' ILE . 3.8 ttt -140.11 136.3 33.42 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.344 1.458 . . . . 0.0 108.52 172.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -110.26 175.88 5.26 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.465 0.65 . . . . 0.0 109.589 168.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -64.9 -6.39 8.24 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -86.3 -22.5 26.73 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 121.26 1.846 . . . . 0.0 109.785 175.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -57.95 -66.59 2.71 Favored Glycine 0 C--O 1.214 -1.113 0 CA-C-O 124.604 2.224 . . . . 0.0 109.636 -179.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.666 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.2 OUTLIER -59.75 -28.19 67.16 Favored 'General case' 0 C--N 1.313 -1.006 0 O-C-N 119.155 -2.379 . . . . 0.0 112.363 -178.136 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.93 -7.8 85.06 Favored Glycine 0 CA--C 1.531 1.04 0 C-N-CA 128.683 3.039 . . . . 0.0 112.481 177.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 m -89.7 -54.09 4.22 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 127.395 2.278 . . . . 0.0 105.775 165.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -60.17 -44.58 94.93 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 121.828 -0.545 . . . . 0.0 111.907 -169.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.4 p -67.96 -20.58 26.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -175.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.2 t -69.89 -40.02 78.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 17.6 mm -66.02 -25.72 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.616 0.766 . . . . 0.0 110.817 177.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.7 tp -55.6 -18.63 8.08 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.082 0.953 . . . . 0.0 112.099 171.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -99.69 -56.34 2.42 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 116.22 -1.847 . . . . 0.0 110.06 170.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -43.64 -45.04 6.68 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 121.219 1.827 . . . . 0.0 112.454 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.88 -56.17 25.01 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.326 0.65 . . . . 0.0 109.747 177.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.86 -34.04 62.51 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 126.228 1.811 . . . . 0.0 112.141 176.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 54.6 mt -57.76 -41.77 80.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.436 0 CA-C-N 119.862 1.21 . . . . 0.0 109.352 174.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -99.76 12.65 36.09 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.062 0.846 . . . . 0.0 112.218 177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.53 24.9 71.58 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.122 1.344 . . . . 0.0 113.86 174.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' HE2' ' HE3' ' A' ' 45' ' ' LYS . 16.2 mmtt -103.67 159.11 15.89 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 119.338 1.569 . . . . 0.0 109.96 -174.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -92.43 -174.42 3.69 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.249 1.02 . . . . 0.0 110.04 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -164.82 127.8 2.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.923 0.889 . . . . 0.0 110.405 178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 59.9 mt -142.77 152.67 17.39 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 C-N-CA 128.109 2.564 . . . . 0.0 105.783 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 HD23 ' HB2' ' A' ' 49' ' ' LEU . 62.2 mt -116.85 134.9 54.2 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 105.189 -2.152 . . . . 0.0 105.189 171.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -128.22 162.11 27.74 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.971 0.891 . . . . 0.0 110.984 171.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.7 t 60.19 30.34 19.79 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.856 1.262 . . . . 0.0 112.936 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HG23 ' A' ' 103' ' ' ILE . 13.5 mt -63.54 144.84 56.66 Favored 'General case' 0 CA--C 1.519 -0.229 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 176.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 55.8 mttt -77.73 153.25 33.14 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.52 -33.87 71.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.376 0.608 . . . . 0.0 109.418 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.8 t -59.49 -17.48 32.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.334 1.054 . . . . 0.0 111.817 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.3 mm -120.33 -41.72 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.605 0 C-N-CA 127.877 2.471 . . . . 0.0 107.25 -165.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.2 m -56.76 -49.25 75.82 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.829 0.823 . . . . 0.0 109.163 176.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -54.91 -35.96 64.69 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 123.589 0.756 . . . . 0.0 112.429 173.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -69.52 -47.86 69.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.657 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 -171.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 33.9 mt -54.22 -54.21 43.04 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 106.587 -1.635 . . . . 0.0 106.587 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.3 tptt -52.28 -51.96 55.53 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.656 0.783 . . . . 0.0 111.209 177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 29.2 mt -60.35 -27.86 67.71 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 124.163 0.985 . . . . 0.0 112.101 -178.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -95.37 16.45 16.82 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.05 0.94 . . . . 0.0 112.069 175.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 4.9 m80 52.99 23.41 2.89 Favored 'General case' 0 C--O 1.226 -0.177 0 C-N-CA 128.353 2.661 . . . . 0.0 114.082 -173.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -78.71 -33.68 46.62 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 119.031 0.832 . . . . 0.0 111.733 -178.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -37.38 84.32 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 119.267 0.939 . . . . 0.0 110.013 -173.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.4 pttt -65.69 -10.84 40.04 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.8 pt -124.82 -0.11 5.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 CA-C-N 120.181 1.355 . . . . 0.0 111.712 -175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -124.68 -179.96 4.73 Favored 'General case' 0 C--O 1.238 0.476 0 C-N-CA 127.117 2.167 . . . . 0.0 108.569 -177.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 tttt -123.06 131.42 53.69 Favored 'General case' 0 CA--C 1.509 -0.621 0 C-N-CA 124.668 1.187 . . . . 0.0 108.663 173.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.532 HG23 HD12 ' A' ' 84' ' ' LEU . 4.8 mp -128.01 129.41 69.63 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.146 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.1 p -133.25 173.1 11.81 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.009 1.724 . . . . 0.0 108.048 175.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -92.19 -45.48 8.23 Favored 'General case' 0 CA--C 1.513 -0.476 0 C-N-CA 125.395 1.478 . . . . 0.0 109.331 -162.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 60.7 p -129.99 150.99 51.02 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 105.124 -2.176 . . . . 0.0 105.124 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.35 -41.06 18.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.79 -38.56 34.84 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 125.29 1.436 . . . . 0.0 112.668 178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -70.14 -29.46 66.39 Favored 'General case' 0 CA--C 1.534 0.344 0 O-C-N 121.376 -0.828 . . . . 0.0 112.792 -174.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.85 0 C-N-CA 123.478 0.711 . . . . 0.0 110.318 -172.019 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 mtt . . . . . 0 N--CA 1.474 0.77 0 CA-C-O 118.624 -0.703 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.1 m120 25.44 58.65 0.05 Allowed 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 129.57 3.148 . . . . 0.0 114.082 173.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -151.21 80.11 1.3 Allowed 'General case' 0 C--O 1.239 0.52 0 N-CA-C 104.616 -2.364 . . . . 0.0 104.616 -178.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.464 HD22 ' O ' ' A' ' 20' ' ' GLN . 2.2 tm? 56.86 146.97 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.918 0 C-N-CA 129.936 3.295 . . . . 0.0 112.377 -175.256 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 19.8 pttt -167.72 -177.92 3.67 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 126.3 1.84 . . . . 0.0 110.419 162.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.831 ' H ' HD22 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -119.12 151.63 37.95 Favored 'General case' 0 N--CA 1.436 -1.146 0 C-N-CA 128.679 2.791 . . . . 0.0 106.461 169.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.44 -47.19 3.42 Favored 'General case' 0 CA--C 1.516 -0.355 0 C-N-CA 123.135 0.574 . . . . 0.0 111.376 -172.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 71.1 mt 73.03 127.38 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 C-N-CA 129.132 2.973 . . . . 0.0 112.349 169.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.7 t -146.78 74.33 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 C-N-CA 129.108 2.963 . . . . 0.0 104.587 -171.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -61.92 104.3 0.44 Allowed 'General case' 0 N--CA 1.45 -0.451 0 O-C-N 120.57 -1.331 . . . . 0.0 107.706 171.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' O ' ' HE3' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -79.08 -157.62 0.13 Allowed 'General case' 0 N--CA 1.448 -0.535 0 C-N-CA 124.913 1.285 . . . . 0.0 108.523 175.693 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -74.17 -48.56 28.44 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.864 1.211 . . . . 0.0 112.388 -170.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -118.86 -10.14 9.98 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.046 0.939 . . . . 0.0 112.266 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.48 114.41 18.11 Favored 'General case' 0 CA--C 1.505 -0.777 0 C-N-CA 125.826 1.65 . . . . 0.0 108.592 -161.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.6 98.49 10.69 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -173.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.7 mt -85.32 118.98 33.17 Favored 'Isoleucine or valine' 0 C--N 1.342 0.255 0 C-N-CA 118.232 -1.387 . . . . 0.0 107.608 -173.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.1 t -98.82 93.96 3.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 C-N-CA 126.418 1.887 . . . . 0.0 106.182 170.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 18.0 mtp-105 -73.67 130.02 39.15 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 169.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -98.74 140.87 17.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' O ' HD22 ' A' ' 4' ' ' LEU . 54.9 mt-30 -117.18 142.09 47.47 Favored 'General case' 0 CA--C 1.516 -0.352 0 C-N-CA 124.942 1.297 . . . . 0.0 110.728 174.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 85.5 161.07 34.11 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 177.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.61 156.99 18.45 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 125.752 1.621 . . . . 0.0 110.414 165.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 tt -116.03 135.13 57.18 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 C-N-CA 126.684 1.994 . . . . 0.0 108.57 -174.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.524 ' H ' ' HB3' ' A' ' 27' ' ' ASN . 45.8 p30 -166.83 -162.88 0.51 Allowed 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.673 1.589 . . . . 0.0 112.555 -177.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.05 -23.95 3.45 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.774 2.029 . . . . 0.0 115.394 176.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 26.5 m-85 -82.05 -36.51 27.62 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 120.719 1.6 . . . . 0.0 109.501 175.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' HB3' ' H ' ' A' ' 24' ' ' ASP . 6.8 t-20 -71.26 -26.05 62.73 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.124 1.37 . . . . 0.0 109.01 175.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 t -57.93 -14.43 6.28 Favored 'General case' 0 N--CA 1.448 -0.573 0 C-N-CA 125.395 1.478 . . . . 0.0 112.376 -179.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.1 p -118.29 -31.01 5.1 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 116.587 -1.673 . . . . 0.0 112.9 158.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -59.84 -69.07 0.23 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 119.629 1.104 . . . . 0.0 110.395 -174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -56.95 -34.77 68.35 Favored 'General case' 0 N--CA 1.453 -0.318 0 O-C-N 121.54 -0.725 . . . . 0.0 111.439 179.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -58.3 -49.82 75.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 118.6 -0.714 . . . . 0.0 110.158 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.05 -51.05 61.78 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 119.039 0.836 . . . . 0.0 109.783 177.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -69.36 1.03 4.21 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 126.328 1.851 . . . . 0.0 112.187 -171.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 36.9 mt -117.02 -44.12 2.82 Favored 'General case' 0 C--O 1.206 -1.192 0 CA-C-O 115.558 -2.163 . . . . 0.0 109.738 171.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptt180 -66.95 -40.97 87.66 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 122.979 2.627 . . . . 0.0 110.297 -179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -74.69 -34.4 62.62 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.219 0.608 . . . . 0.0 109.744 178.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -67.87 -43.76 78.63 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-O 117.22 -1.372 . . . . 0.0 110.749 173.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.518 ' HA ' HG22 ' A' ' 42' ' ' THR . 10.3 mt -54.75 -45.26 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 119.263 0.938 . . . . 0.0 111.423 174.135 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 30.7 t -50.47 -47.59 57.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.71 0.686 . . . . 0.0 109.739 174.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 83.9 m -76.5 -44.88 33.34 Favored 'General case' 0 N--CA 1.443 -0.823 0 C-N-CA 123.689 0.796 . . . . 0.0 112.637 -178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.518 HG22 ' HA ' ' A' ' 39' ' ' ILE . 15.2 t -59.53 133.8 56.43 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 122.545 1.164 . . . . 0.0 111.222 -156.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.26 -11.33 57.89 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.93 1.692 . . . . 0.0 110.854 -171.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HE3' ' O ' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -116.83 170.76 8.37 Favored 'General case' 0 CA--C 1.514 -0.431 0 C-N-CA 127.213 2.205 . . . . 0.0 109.154 -177.174 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.4 mttp -120.34 -31.4 4.37 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 117.524 -1.227 . . . . 0.0 113.673 -168.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.1 ttpt -79.3 92.03 5.1 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 117.394 -1.289 . . . . 0.0 108.589 -176.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.2 mm -85.3 105.98 14.69 Favored 'Isoleucine or valine' 0 C--N 1.342 0.277 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -172.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.4 t -98.99 135.56 33.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.668 -1.234 . . . . 0.0 107.668 -176.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -121.24 107.92 13.12 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 118.917 0.781 . . . . 0.0 109.935 -173.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.53 116.16 27.48 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 126.137 1.775 . . . . 0.0 109.376 -175.345 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.677 HD12 HG21 ' A' ' 54' ' ' VAL . 2.9 mm? -101.16 22.35 12.5 Favored 'General case' 0 C--N 1.344 0.339 0 CA-C-N 121.228 1.831 . . . . 0.0 113.255 -178.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.2 p -57.97 -29.18 65.01 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 124.48 1.112 . . . . 0.0 112.742 -175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.06 -18.36 21.08 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 121.199 -0.938 . . . . 0.0 111.334 179.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.677 HG21 HD12 ' A' ' 51' ' ' LEU . 25.5 t -78.11 107.06 9.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 -173.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.7 m -108.45 -19.79 13.33 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 114.427 -1.261 . . . . 0.0 113.077 -167.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -130.79 149.57 52.36 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 105.697 -1.964 . . . . 0.0 105.697 168.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 11.2 ttt -145.4 154.11 41.92 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 168.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -133.47 179.43 6.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 126.357 1.863 . . . . 0.0 108.336 174.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.5 m -61.49 -17.27 53.85 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.168 0.803 . . . . 0.0 113.168 -178.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.32 -43.56 98.53 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 123.537 0.735 . . . . 0.0 110.491 172.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -58.91 -54.03 41.37 Favored Glycine 0 C--N 1.333 0.402 0 C-N-CA 125.434 1.492 . . . . 0.0 110.949 -173.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -42.59 74.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 118.792 -0.623 . . . . 0.0 109.61 -175.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.12 -10.28 33.11 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.744 1.164 . . . . 0.0 113.627 173.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 37.5 m -104.95 -36.93 7.17 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 126.772 2.029 . . . . 0.0 108.879 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.36 -44.78 74.46 Favored 'General case' 0 C--O 1.221 -0.435 0 CA-C-N 119.232 0.924 . . . . 0.0 110.284 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.38 -23.87 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 119.95 1.25 . . . . 0.0 113.517 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.26 -43.84 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.432 0.693 . . . . 0.0 109.46 168.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 18.1 mm -71.14 -20.01 21.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 125.147 1.379 . . . . 0.0 111.752 -175.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.05 -56.14 25.64 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 120.39 1.45 . . . . 0.0 108.158 171.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -55.98 -60.09 3.97 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-O 116.528 -1.701 . . . . 0.0 109.717 168.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.423 ' HB2' ' HA ' ' A' ' 68' ' ' ILE . 36.9 m-20 -58.15 -35.19 71.18 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.931 2.15 . . . . 0.0 112.585 -167.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.98 -54.46 45.77 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.289 1.035 . . . . 0.0 109.768 170.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 12.4 ttpp -50.55 -37.54 40.02 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 125.082 1.353 . . . . 0.0 112.001 174.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.2 mt -57.86 -37.66 61.56 Favored 'Isoleucine or valine' 0 C--N 1.342 0.251 0 CA-C-N 120.158 1.345 . . . . 0.0 109.078 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.54 18.58 21.94 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 118.642 0.655 . . . . 0.0 112.073 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 63.24 35.57 92.26 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 124.621 1.105 . . . . 0.0 113.275 177.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.5 mttm -109.28 157.9 18.39 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 118.619 1.21 . . . . 0.0 109.041 -177.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.427 ' HG3' ' H ' ' A' ' 79' ' ' PHE . 7.9 tp10 -93.96 -175.08 3.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.827 -1.079 . . . . 0.0 110.206 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.427 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 20.0 t80 -167.47 114.81 0.76 Allowed 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.112 -0.992 . . . . 0.0 110.315 -170.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 12.6 mt -139.58 147.34 24.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 N-CA-C 105.787 -1.931 . . . . 0.0 105.787 -179.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.2 mt -107.67 148.16 29.75 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 125.082 1.353 . . . . 0.0 108.374 172.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -148.46 168.27 23.12 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.445 1.098 . . . . 0.0 111.09 174.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 m 46.29 70.88 0.34 Allowed 'General case' 0 CA--C 1.513 -0.474 0 C-N-CA 126.12 1.768 . . . . 0.0 114.92 -170.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.6 171.43 9.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 121.828 0.823 . . . . 0.0 109.244 -178.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 39.5 mttm -110.58 157.15 19.98 Favored 'General case' 0 CA--C 1.486 -1.505 0 CA-C-N 115.344 -0.844 . . . . 0.0 109.71 171.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -63.83 -31.56 72.78 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.539 -1.21 . . . . 0.0 109.328 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.46 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . 1.4 m -72.33 -15.8 61.88 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 112.477 0.547 . . . . 0.0 112.477 179.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 36.3 mm -115.95 -40.01 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.067 1.347 . . . . 0.0 108.229 -164.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.4 t -59.43 -51.09 71.37 Favored 'General case' 0 N--CA 1.44 -0.939 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 177.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.46 ' HD3' ' HA ' ' A' ' 87' ' ' SER . 1.2 ptm180 -57.27 -32.59 66.76 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-O 116.803 -1.57 . . . . 0.0 112.136 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -67.17 -46.85 83.33 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 N-CA-C 106.43 -1.693 . . . . 0.0 106.43 -177.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.8 mt -61.31 -45.96 92.3 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.4 ttpt -56.55 -53.24 59.85 Favored 'General case' 0 N--CA 1.447 -0.601 0 O-C-N 121.294 -0.879 . . . . 0.0 110.796 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 23.8 mt -48.79 -53.68 18.2 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 126.861 2.065 . . . . 0.0 109.387 179.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.38 7.96 10.42 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -173.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 59.97 28.15 17.64 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 127.697 2.399 . . . . 0.0 113.413 -174.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -82.12 -37.1 26.78 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.457 1.503 . . . . 0.0 110.633 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.82 -34.91 78.97 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.249 0.931 . . . . 0.0 109.85 -172.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -24.24 67.69 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 175.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.0 pt -115.08 -4.79 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 C-N-CA 124.708 1.203 . . . . 0.0 111.197 -166.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -113.55 -176.73 2.96 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.544 2.338 . . . . 0.0 105.979 174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt -126.46 133.97 51.07 Favored 'General case' 0 CA--C 1.504 -0.789 0 O-C-N 121.133 -0.98 . . . . 0.0 108.429 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.0 mp -119.56 137.94 51.82 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -135.32 179.84 6.08 Favored 'General case' 0 C--O 1.24 0.554 0 C-N-CA 127.431 2.292 . . . . 0.0 107.624 176.159 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.77 -46.3 6.64 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 123.743 0.817 . . . . 0.0 109.694 -172.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 75.1 p -129.67 148.17 51.53 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 -176.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 26.9 m -61.36 -17.32 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 O-C-N 121.566 -0.709 . . . . 0.0 111.008 175.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.82 -45.48 92.41 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 126.144 1.778 . . . . 0.0 113.806 166.437 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.87 -16.14 62.68 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 120.404 1.457 . . . . 0.0 112.492 -177.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.88 0 C-N-CA 124.99 1.316 . . . . 0.0 110.318 -177.13 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.9 ttp . . . . . 0 N--CA 1.465 0.323 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 45.5 m-20 -72.39 -62.4 1.45 Allowed 'General case' 0 C--N 1.334 -0.091 0 N-CA-C 106.525 -1.657 . . . . 0.0 106.525 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -154.13 102.91 2.51 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 105.146 -2.168 . . . . 0.0 105.146 172.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.538 HD13 ' C ' ' A' ' 4' ' ' LEU . 1.1 tm? -64.03 136.37 57.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 168.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt 154.11 -160.42 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 130.252 3.421 . . . . 0.0 107.617 -165.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD11 ' HB3' ' A' ' 34' ' ' GLN . 0.2 OUTLIER -116.77 -177.15 3.12 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 128.342 2.657 . . . . 0.0 108.931 -171.414 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.64 -39.25 2.01 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 124.639 1.176 . . . . 0.0 111.292 170.459 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.6 mt 54.62 121.84 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 130.193 3.397 . . . . 0.0 114.281 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.29 88.84 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.098 0 C-N-CA 126.706 2.002 . . . . 0.0 107.917 -178.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -73.07 117.17 14.48 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.845 -1.909 . . . . 0.0 105.845 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.31 -139.78 0.04 OUTLIER 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.498 1.119 . . . . 0.0 108.347 -175.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.75 -53.76 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 120.944 -1.097 . . . . 0.0 111.707 171.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -135.01 -2.31 2.59 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 118.859 0.754 . . . . 0.0 112.93 176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -107.31 140.46 40.18 Favored 'General case' 0 CA--C 1.518 -0.277 0 C-N-CA 124.942 1.297 . . . . 0.0 107.763 172.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.575 ' HB2' ' HB2' ' A' ' 44' ' ' LYS . . . -102.22 105.15 15.77 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.463 -1.68 . . . . 0.0 106.463 177.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.457 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 10.3 mt -79.62 126.46 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.181 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 177.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 64.1 t -116.69 81.09 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 174.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.584 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 36.1 mtt-85 -58.83 133.76 56.28 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.625 -1.625 . . . . 0.0 109.621 176.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 58.3 t -89.23 160.26 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 C-N-CA 119.036 -1.066 . . . . 0.0 108.641 172.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.527 ' O ' HD22 ' A' ' 4' ' ' LEU . 12.8 mt-30 -131.68 149.0 52.63 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.976 2.11 . . . . 0.0 107.897 161.179 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.462 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 90.67 161.62 37.57 Favored Glycine 0 CA--C 1.527 0.793 0 C-N-CA 124.36 0.981 . . . . 0.0 112.245 173.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.83 154.56 40.59 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 124.557 1.143 . . . . 0.0 108.309 169.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.527 HG13 HD22 ' A' ' 27' ' ' ASN . 10.3 tt -116.32 103.4 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.639 0 C-N-CA 124.755 1.222 . . . . 0.0 111.289 -173.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.0 p30 -150.53 -171.48 3.93 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 125.15 1.38 . . . . 0.0 111.533 -164.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.06 -25.41 1.41 Allowed 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.157 2.183 . . . . 0.0 114.771 176.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -87.26 -32.87 19.5 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 119.343 0.974 . . . . 0.0 109.862 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.527 HD22 HG13 ' A' ' 23' ' ' ILE . 63.9 t30 -80.34 -14.14 58.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 124.215 1.006 . . . . 0.0 109.858 176.446 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -9.27 2.76 Favored 'General case' 0 N--CA 1.446 -0.646 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -120.58 -27.32 5.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 116.691 -1.624 . . . . 0.0 111.915 163.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -75.2 0.08 Allowed 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 119.586 1.084 . . . . 0.0 109.649 -174.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.85 -31.63 68.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.014 -1.054 . . . . 0.0 111.985 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' HB2' HG23 ' A' ' 64' ' ' THR . 33.6 ttmt -55.96 -58.01 9.68 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-O 118.573 -0.727 . . . . 0.0 109.428 174.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -61.76 -49.84 74.79 Favored 'General case' 0 CA--C 1.509 -0.619 0 C-N-CA 124.428 1.091 . . . . 0.0 109.785 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.559 ' HB3' HD11 ' A' ' 6' ' ' LEU . 13.1 mm-40 -67.22 -6.27 17.44 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 123.361 0.664 . . . . 0.0 110.907 -172.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.9 mt -106.99 -54.5 2.46 Favored 'General case' 0 C--O 1.2 -1.55 0 CA-C-O 113.974 -2.917 . . . . 0.0 111.693 168.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -52.26 -36.68 53.32 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 125.947 3.976 . . . . 0.0 110.963 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -68.69 -46.23 69.59 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 179.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -70.62 -40.75 72.96 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-O 117.184 -1.389 . . . . 0.0 112.913 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 1.2 mp -50.08 -32.97 9.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 CA-C-N 121.621 2.009 . . . . 0.0 112.952 171.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.1 t -65.2 -55.6 17.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 119.485 1.039 . . . . 0.0 108.856 171.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.1 m -65.47 -36.55 84.21 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 124.249 1.019 . . . . 0.0 112.419 -174.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.9 t -57.44 115.79 2.95 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 122.151 0.977 . . . . 0.0 110.719 -159.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.69 -25.88 68.38 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.636 175.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.575 ' HB2' ' HB2' ' A' ' 15' ' ' ALA . 40.5 mttp -102.97 171.89 7.13 Favored 'General case' 0 CA--C 1.511 -0.555 0 C-N-CA 124.134 0.973 . . . . 0.0 110.319 -169.53 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -118.31 -30.67 5.18 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 117.012 -1.47 . . . . 0.0 113.013 -174.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.93 134.23 48.17 Favored 'General case' 0 CA--C 1.503 -0.864 0 C-N-CA 116.003 -2.279 . . . . 0.0 108.32 164.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 8.0 mm -118.48 103.57 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 104.116 -2.55 . . . . 0.0 104.116 168.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.457 ' HB ' ' HA ' ' A' ' 16' ' ' ILE . 63.1 t -103.29 112.14 35.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 C-N-CA 126.205 1.802 . . . . 0.0 107.784 -168.627 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.35 106.31 13.5 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-O 121.349 0.595 . . . . 0.0 111.135 -165.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.584 ' HB3' ' HA ' ' A' ' 18' ' ' ARG 0.318 1.8 t70 -78.5 138.52 38.47 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 115.889 -2.005 . . . . 0.0 111.793 -176.043 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.723 HD12 HG21 ' A' ' 54' ' ' VAL . 2.0 mm? -119.6 26.18 9.55 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 116.762 2.134 . . . . 0.0 116.762 175.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.4 t -62.26 -32.5 73.2 Favored 'General case' 0 N--CA 1.446 -0.631 0 O-C-N 121.274 -0.892 . . . . 0.0 112.581 -179.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.99 -8.28 58.08 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 119.118 0.872 . . . . 0.0 111.947 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.723 HG21 HD12 ' A' ' 51' ' ' LEU . 38.4 t -92.16 97.07 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 N-CA-C 106.852 -1.536 . . . . 0.0 106.852 -172.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 m -87.08 -15.41 38.6 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -141.77 146.33 35.83 Favored 'General case' 0 N--CA 1.439 -1.025 0 C-N-CA 123.85 0.86 . . . . 0.0 109.582 171.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.414 ' HA ' HG23 ' A' ' 23' ' ' ILE . 12.7 ttt -134.54 135.55 42.41 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 106.237 -1.764 . . . . 0.0 106.237 174.263 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -105.83 173.14 6.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.768 0.668 . . . . 0.0 109.408 167.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -54.5 -22.75 13.81 Favored 'General case' 0 CA--C 1.535 0.369 0 O-C-N 121.595 -0.69 . . . . 0.0 112.494 167.633 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.97 89.38 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 124.572 1.149 . . . . 0.0 109.012 174.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' HA3' HG12 ' A' ' 23' ' ' ILE . . . -59.73 -47.66 89.86 Favored Glycine 0 N--CA 1.438 -1.219 0 C-N-CA 124.991 1.282 . . . . 0.0 112.446 177.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.544 HD12 ' C ' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -57.18 -55.71 31.16 Favored 'General case' 0 N--CA 1.447 -0.607 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 -178.609 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -60.69 -12.68 28.49 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 126.773 2.13 . . . . 0.0 114.675 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.41 HG23 ' HB2' ' A' ' 32' ' ' LYS . 68.6 m -102.56 -16.93 15.95 Favored 'General case' 0 CA--C 1.523 -0.096 0 C-N-CA 125.685 1.594 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.41 -51.21 4.67 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 124.749 1.22 . . . . 0.0 109.005 174.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -61.65 -30.73 48.91 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 119.64 1.109 . . . . 0.0 112.098 -175.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.0 p -54.19 -40.87 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 125.104 1.362 . . . . 0.0 111.155 169.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 19.7 mm -69.05 -21.67 25.6 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.382 0 C-N-CA 125.017 1.327 . . . . 0.0 110.263 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -57.88 -41.92 83.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 120.807 1.64 . . . . 0.0 109.467 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -72.12 -63.45 1.14 Allowed 'General case' 0 C--O 1.206 -1.203 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 -176.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -44.42 -44.95 8.77 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 125.761 1.625 . . . . 0.0 112.491 176.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.1 -63.79 1.04 Allowed 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 125.417 1.487 . . . . 0.0 110.316 168.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 23.0 ttmt -45.28 -52.31 9.81 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.889 1.276 . . . . 0.0 111.309 175.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 86.0 mt -53.61 -35.12 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 128.036 2.534 . . . . 0.0 109.312 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -105.06 7.98 34.12 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.574 1.15 . . . . 0.0 112.058 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.1 17.91 68.46 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 125.632 1.587 . . . . 0.0 113.405 173.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -98.51 159.95 14.61 Favored 'General case' 0 C--O 1.233 0.234 0 O-C-N 120.958 -1.319 . . . . 0.0 108.937 -173.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -100.73 -177.33 3.45 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 126.651 1.98 . . . . 0.0 109.438 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 17.3 t80 -159.56 132.8 7.01 Favored 'General case' 0 C--O 1.236 0.374 0 O-C-N 120.662 -1.274 . . . . 0.0 109.434 -174.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 27.8 mt -144.7 152.54 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.195 2.198 . . . . 0.0 105.414 179.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.569 HD22 HD21 ' A' ' 51' ' ' LEU . 81.5 mt -114.18 154.15 28.36 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.62 0.768 . . . . 0.0 110.193 168.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.2 p -140.12 152.57 46.22 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 120.259 1.39 . . . . 0.0 110.2 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 64.64 40.8 5.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 118.138 2.644 . . . . 0.0 118.138 165.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.48 169.98 14.26 Favored 'General case' 0 C--N 1.314 -0.935 0 C-N-CA 124.523 1.129 . . . . 0.0 110.665 -176.08 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.1 mttm -103.23 157.89 16.69 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.694 167.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -66.48 -28.91 68.95 Favored 'General case' 0 C--N 1.318 -0.767 0 O-C-N 124.085 0.865 . . . . 0.0 109.166 -176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 4.2 m -62.84 -20.16 64.81 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.274 1.03 . . . . 0.0 112.405 173.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 mm -113.89 -41.77 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.174 1.79 . . . . 0.0 107.733 -166.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.5 m -57.83 -45.84 85.59 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -59.1 -44.24 91.95 Favored 'General case' 0 C--O 1.217 -0.657 0 CA-C-O 118.892 -0.575 . . . . 0.0 110.864 171.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -43.19 91.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.261 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 -169.06 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 30.9 mt -60.74 -44.67 96.38 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 174.378 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -59.39 -45.9 90.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 118.901 -2.374 . . . . 0.0 112.707 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.68 -37.16 49.41 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 126.4 1.88 . . . . 0.0 110.748 -178.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . 0.26 62.3 m -102.96 14.88 30.89 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.041 0.936 . . . . 0.0 112.655 179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 36.7 m-70 56.42 37.33 28.73 Favored 'General case' 0 C--O 1.223 -0.293 0 C-N-CA 127.391 2.276 . . . . 0.0 112.142 -179.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.51 ' CD1' ' CE1' ' A' ' 101' ' ' PHE . 0.2 OUTLIER -97.08 -36.19 10.57 Favored 'General case' 0 N--CA 1.44 -0.971 0 C-N-CA 126.674 1.99 . . . . 0.0 109.815 -170.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.01 -46.98 88.56 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.832 ' HE2' HG23 ' A' ' 100' ' ' ILE . 1.1 ptmt -56.52 -19.01 13.51 Favored 'General case' 0 CA--C 1.536 0.425 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 178.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.832 HG23 ' HE2' ' A' ' 99' ' ' LYS . 6.5 pt -113.5 -2.23 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 C-N-CA 126.088 1.755 . . . . 0.0 111.014 -175.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.51 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 3.2 m-85 -111.2 -171.58 1.86 Allowed 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 128.858 2.863 . . . . 0.0 105.936 173.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 26.3 ttpt -132.94 144.27 50.02 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 163.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 3.7 mp -127.65 125.27 65.03 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.009 0 N-CA-C 106.273 -1.751 . . . . 0.0 106.273 176.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 68.7 p -111.44 173.84 6.15 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 125.811 1.645 . . . . 0.0 108.4 168.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -53.2 5.28 Favored 'General case' 0 CA--C 1.51 -0.596 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 -178.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 51.6 p -110.87 161.37 15.89 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 124.65 1.18 . . . . 0.0 107.909 -177.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 30.1 m -63.04 -22.9 31.86 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 165.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -73.47 -26.96 61.15 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 175.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -84.6 -1.26 55.71 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 119.186 0.903 . . . . 0.0 111.095 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 C-N-CA 127.439 2.296 . . . . 0.0 110.347 177.612 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.0 ttt . . . . . 0 N--CA 1.472 0.645 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.2 p30 -148.64 -179.41 6.96 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 123.48 0.712 . . . . 0.0 109.458 -177.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -128.94 69.23 1.39 Allowed 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.429 -1.323 . . . . 0.0 107.429 174.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -55.95 133.03 51.3 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 175.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' C ' HD23 ' A' ' 6' ' ' LEU . 32.0 tttt 161.65 177.53 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 131.307 3.843 . . . . 0.0 108.762 -162.235 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.511 HD23 ' C ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -133.21 151.7 51.94 Favored 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 127.205 2.202 . . . . 0.0 107.376 166.021 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.91 -41.84 5.51 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 124.43 1.092 . . . . 0.0 110.161 -160.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.424 HG12 HG13 ' A' ' 17' ' ' VAL . 43.8 mt 61.64 115.99 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 129.378 3.071 . . . . 0.0 114.128 166.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.3 t -140.65 95.33 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 126.386 1.874 . . . . 0.0 108.538 -177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.63 121.09 15.14 Favored 'General case' 0 C--O 1.235 0.317 0 O-C-N 120.58 -1.325 . . . . 0.0 107.803 175.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.58 ' CD ' ' H ' ' A' ' 12' ' ' ASP . 6.7 tm0? -84.72 -145.32 0.09 Allowed 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 125.379 1.471 . . . . 0.0 107.785 -178.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.58 ' H ' ' CD ' ' A' ' 11' ' ' GLN . 10.0 t70 -59.72 -60.21 4.2 Favored 'General case' 0 CA--C 1.516 -0.362 0 C-N-CA 125.249 1.42 . . . . 0.0 108.68 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' HA ' ' HG3' ' A' ' 44' ' ' LYS . 22.5 t0 -144.04 1.79 1.14 Allowed 'General case' 0 CA--C 1.54 0.564 0 O-C-N 125.053 1.471 . . . . 0.0 111.657 -173.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -121.39 143.62 49.11 Favored 'General case' 0 C--O 1.227 -0.109 0 C-N-CA 126.755 2.022 . . . . 0.0 107.591 -177.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -98.85 109.03 21.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 118.289 -0.862 . . . . 0.0 108.827 -175.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.435 HG22 ' HD2' ' A' ' 18' ' ' ARG . 50.2 mt -83.68 87.16 2.13 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 178.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.535 ' HB ' HD13 ' A' ' 49' ' ' LEU . 46.8 t -81.52 85.91 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 N-CA-C 106.849 -1.537 . . . . 0.0 106.849 169.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.449 ' HA ' ' HB3' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -62.11 127.4 31.19 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 106.249 -1.759 . . . . 0.0 106.249 167.299 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 39.7 t -101.16 143.32 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-N 120.607 1.549 . . . . 0.0 106.879 172.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -112.74 164.81 12.91 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 123.424 0.69 . . . . 0.0 109.14 171.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.405 ' O ' HG22 ' A' ' 54' ' ' VAL . . . 74.49 136.17 0.4 Allowed Glycine 0 CA--C 1.522 0.496 0 C-N-CA 126.509 2.004 . . . . 0.0 115.135 169.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -42.4 117.07 0.94 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 126.62 1.968 . . . . 0.0 111.531 170.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.421 HG23 ' HA ' ' A' ' 57' ' ' MET . 5.5 tt -82.23 127.32 39.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 C-N-CA 127.612 2.365 . . . . 0.0 108.909 -171.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -168.76 177.07 5.25 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 120.433 -1.417 . . . . 0.0 110.17 -154.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.79 -22.1 8.8 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.927 0.785 . . . . 0.0 112.165 168.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -65.44 -45.7 82.78 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 125.212 1.405 . . . . 0.0 112.333 172.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.4 HD21 HG13 ' A' ' 23' ' ' ILE . 2.6 p-10 -97.98 -5.36 34.33 Favored 'General case' 0 C--O 1.225 -0.196 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.186 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.8 t -50.88 -26.58 6.01 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 125.799 1.64 . . . . 0.0 112.056 177.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.3 p -121.8 -7.79 8.99 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 117.826 -1.083 . . . . 0.0 113.237 170.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -78.99 -75.59 0.23 Allowed 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 117.7 -1.143 . . . . 0.0 109.928 166.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 54.6 tp -42.57 -45.17 4.47 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 120.901 1.682 . . . . 0.0 112.684 177.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.546 ' HB2' HG23 ' A' ' 64' ' ' THR . 30.5 ttpt -55.84 -47.28 77.52 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 118.469 -0.777 . . . . 0.0 111.315 176.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -70.32 -43.58 70.0 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.631 0.65 . . . . 0.0 110.304 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 50.2 mm-40 -63.31 -10.38 16.0 Favored 'General case' 0 N--CA 1.463 0.215 0 C-N-CA 125.948 1.699 . . . . 0.0 112.175 -179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 51.9 mt -117.21 -39.04 3.25 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-O 114.27 -2.776 . . . . 0.0 110.998 -179.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 ptm85 -61.69 -41.94 98.26 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 123.757 2.981 . . . . 0.0 110.678 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -73.69 -39.46 64.37 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -177.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -71.44 -36.15 71.16 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.479 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.457 ' HA ' HG22 ' A' ' 42' ' ' THR . 0.5 OUTLIER -57.82 -31.37 40.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 120.519 1.508 . . . . 0.0 112.314 168.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -49.44 62.62 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 118.189 -0.91 . . . . 0.0 109.145 171.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.2 m -56.13 -48.03 77.0 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 119.531 1.059 . . . . 0.0 112.279 176.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.457 HG22 ' HA ' ' A' ' 39' ' ' ILE . 14.7 t -67.58 127.02 31.18 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-O 123.519 1.628 . . . . 0.0 109.399 -147.438 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 m -76.55 -28.21 56.2 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.45 177.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.407 ' HG3' ' HA ' ' A' ' 13' ' ' ASP . 3.5 mptt -97.88 148.48 23.38 Favored 'General case' 0 C--O 1.227 -0.127 0 C-N-CA 125.311 1.444 . . . . 0.0 109.647 -175.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.0 mtpt -94.5 -43.81 8.17 Favored 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.907 -169.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 133.31 55.98 Favored 'General case' 0 CA--C 1.502 -0.868 0 CA-C-O 116.703 -1.617 . . . . 0.0 107.609 168.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.8 mm -124.21 105.05 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 104.225 -2.509 . . . . 0.0 104.225 171.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.1 t -101.26 129.83 51.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 C-N-CA 126.086 1.754 . . . . 0.0 107.485 -175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.535 HD13 ' HB ' ' A' ' 17' ' ' VAL . 4.5 mm? -118.51 103.08 9.4 Favored 'General case' 0 C--O 1.217 -0.656 0 C-N-CA 123.339 0.656 . . . . 0.0 109.886 -170.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.449 ' HB3' ' HA ' ' A' ' 18' ' ' ARG . 10.2 t0 -77.07 131.89 38.62 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.966 -1.492 . . . . 0.0 108.261 -178.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.476 HD23 HD21 ' A' ' 84' ' ' LEU . 2.5 mm? -112.38 14.22 20.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-N 121.405 1.911 . . . . 0.0 115.324 175.109 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 p -55.48 -29.46 58.8 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 120.684 -1.26 . . . . 0.0 112.844 -175.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.4 m -93.13 9.6 35.25 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.331 1.052 . . . . 0.0 112.871 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.461 ' O ' ' HE3' ' A' ' 85' ' ' LYS . 15.1 t -113.16 156.7 14.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 175.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -151.21 -28.97 0.19 Allowed 'General case' 0 C--O 1.237 0.447 0 CA-C-N 119.607 1.094 . . . . 0.0 112.805 176.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -107.14 154.61 20.92 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 125.442 1.497 . . . . 0.0 108.481 170.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.421 ' HA ' HG23 ' A' ' 23' ' ' ILE . 10.8 ttt -147.75 121.66 9.37 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.423 1.077 . . . . 0.0 108.96 175.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -79.46 167.68 20.48 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 124.107 0.879 . . . . 0.0 110.124 174.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 t -46.76 -29.46 1.94 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 127.18 2.192 . . . . 0.0 111.713 161.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.59 -37.16 76.83 Favored 'General case' 0 N--CA 1.446 -0.649 0 O-C-N 121.503 -0.748 . . . . 0.0 109.942 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.94 -58.42 9.47 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 126.043 1.783 . . . . 0.0 111.883 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.515 HD23 ' H ' ' A' ' 62' ' ' LEU . 0.1 OUTLIER -68.57 -44.82 73.62 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.566 0.746 . . . . 0.0 109.204 -172.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -62.21 -20.42 60.63 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 124.53 1.062 . . . . 0.0 112.721 176.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.546 HG23 ' HB2' ' A' ' 32' ' ' LYS . 17.7 m -90.32 -34.5 15.69 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.465 1.506 . . . . 0.0 108.339 -179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.2 mt -84.27 -37.27 21.92 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 118.813 0.733 . . . . 0.0 112.512 -179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.1 p -66.22 -20.55 27.41 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 O-C-N 120.423 -1.423 . . . . 0.0 111.856 -179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.8 -40.45 87.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.456 0 C-N-CA 123.801 0.84 . . . . 0.0 110.643 168.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 24.2 mm -66.67 -27.8 41.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 C-N-CA 125.243 1.417 . . . . 0.0 110.341 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.73 -36.79 38.2 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.249 1.019 . . . . 0.0 110.001 169.336 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -82.14 -59.04 2.7 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-O 115.398 -2.239 . . . . 0.0 110.997 167.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.15 -49.02 4.89 Favored 'General case' 0 N--CA 1.486 1.352 0 CA-C-N 122.281 2.309 . . . . 0.0 112.252 -172.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.27 -56.91 16.11 Favored 'General case' 0 N--CA 1.444 -0.75 0 C-N-CA 125.424 1.49 . . . . 0.0 108.533 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 tmpt? -51.88 -37.55 52.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 116.946 -1.502 . . . . 0.0 111.373 178.051 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 49.5 mt -58.58 -46.12 90.2 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 CA-C-N 120.611 1.551 . . . . 0.0 109.585 177.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -87.21 14.03 8.49 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.684 1.129 . . . . 0.0 111.665 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 61.62 46.57 93.99 Favored Glycine 0 N--CA 1.442 -0.919 0 CA-C-O 118.765 -1.019 . . . . 0.0 110.788 -177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.6 mmtm -116.47 149.72 39.05 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 124.962 1.305 . . . . 0.0 109.52 178.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.44 177.74 8.59 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 128.071 2.549 . . . . 0.0 110.241 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -160.76 122.66 3.09 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.354 1.062 . . . . 0.0 109.184 175.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 26.3 mt -138.13 154.04 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 127.75 2.42 . . . . 0.0 107.195 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 51.7 mt -112.42 157.14 21.43 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 173.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 6.8 p -141.75 149.57 40.62 Favored 'General case' 0 N--CA 1.432 -1.374 0 C-N-CA 127.675 2.39 . . . . 0.0 109.989 178.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.9 m 66.74 60.66 0.55 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 116.603 2.075 . . . . 0.0 116.603 170.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.476 HD21 HD23 ' A' ' 51' ' ' LEU . 0.5 OUTLIER -103.2 170.19 8.11 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 112.581 -2.099 . . . . 0.0 109.48 -178.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.461 ' HE3' ' O ' ' A' ' 54' ' ' VAL . 19.8 mtmm -141.83 153.78 44.73 Favored 'General case' 0 CA--C 1.495 -1.161 0 N-CA-C 105.038 -2.208 . . . . 0.0 105.038 -159.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -60.92 -28.58 69.03 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.01 0.819 . . . . 0.0 109.919 -170.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 38.1 m -81.99 0.68 39.04 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.196 0.999 . . . . 0.0 113.143 -177.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.9 mm -126.54 -40.39 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 125.133 1.373 . . . . 0.0 109.923 174.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 43.1 p -56.77 -46.38 81.5 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -56.56 -47.43 79.49 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 117.309 -1.329 . . . . 0.0 110.275 170.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.5 mt -58.24 -48.61 84.31 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-N 120.866 1.666 . . . . 0.0 107.192 -170.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 38.0 mt -64.7 -43.39 93.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.5 ttpt -60.55 -56.97 14.97 Favored 'General case' 0 CA--C 1.537 0.45 0 O-C-N 120.282 -1.511 . . . . 0.0 111.76 179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 77.3 mt -45.04 -38.43 4.88 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 130.109 3.364 . . . . 0.0 111.666 172.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.6 m -97.5 8.31 44.86 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 59.52 24.25 12.96 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 127.755 2.422 . . . . 0.0 113.305 -174.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -82.24 -36.88 26.72 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 126.513 1.925 . . . . 0.0 111.009 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -63.62 -35.29 80.03 Favored 'General case' 0 N--CA 1.47 0.553 0 O-C-N 121.362 -0.836 . . . . 0.0 110.298 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -69.76 -6.84 34.78 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 175.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.8 pt -127.75 6.76 3.24 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 125.554 1.542 . . . . 0.0 111.025 -175.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -124.26 -171.73 2.4 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 128.563 2.745 . . . . 0.0 106.804 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -131.67 139.39 49.06 Favored 'General case' 0 CA--C 1.501 -0.926 0 O-C-N 121.556 -0.715 . . . . 0.0 109.306 167.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 8.3 mt -134.71 127.49 49.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.916 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -171.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.6 p -117.8 -174.4 2.63 Favored 'General case' 0 N--CA 1.444 -0.752 0 C-N-CA 127.35 2.26 . . . . 0.0 111.567 169.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -106.19 -59.37 1.79 Allowed 'General case' 0 N--CA 1.436 -1.161 0 C-N-CA 126.831 2.052 . . . . 0.0 106.049 -177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 19.2 p -102.21 151.51 22.13 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 176.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 7.8 t -59.03 -34.92 54.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 124.846 1.259 . . . . 0.0 108.505 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.32 -38.93 71.97 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.345 0.658 . . . . 0.0 111.785 177.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -76.22 -0.44 22.26 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.445 0.698 . . . . 0.0 112.471 -175.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.828 0 C-N-CA 125.211 1.404 . . . . 0.0 109.581 -178.89 . . . . . . . . 0 0 . 1 stop_ save_